人类代谢组数据库

版本

5.0

创建日期

2005-11-16 15:48:42 UTC

更新日期

2021-09-07 19:37:13 UTC

登录号

HMDB0000039

地位

quantified

二级访问

HMDB00039

名称

Butyric acid

描述

Butyric acid is a short-chain fatty acid (SCFA) formed in the mammalian colon by bacterial fermentation of carbohydrates (including dietary fibre). It is a straight-chain alkyl carboxylic acid that appears as an oily, colorless liquid with an unpleasant (rancid butter) odor. The name butyric acid comes from the Greek word for "butter", the substance in which it was first found. Triglycerides of butyric acid constitute 3‚Äì4% of butter. When butter goes rancid, butyric acid is liberated from the short-chain triglycerides via hydrolysis. Butyric acid is a widely distributed SCFA and is found in all organisms ranging from bacteria to plants to animals. It is present in animal fat and plant oils, bovine milk, breast milk, butter, parmesan cheese, body odor and vomit. While butyric acid has an unpleasant odor, it does have a pleasant buttery taste. As a result, butyric acid is used as a flavoring agent in food manufacturing. Low-molecular-weight esters of butyric acid, such as methyl butyrate, also have very pleasant aromas or tastes. As a result, several butyrate esters are used as food and perfume additives. Butyrate is naturally produced by fermentation processes performed by obligate anaerobic bacteria found in the mammalian gut. It is a metabolite of several bacterial genera including Anaerostipes, Coprococcus, Eubacterium, Faecalibacterium and Roseburia (PMID: 12324374; PMID: 27446020). Highly-fermentable fiber residues, such as those from resistant starch, oat bran, pectin, and guar can be transformed by colonic bacteria into butyrate. One study found that resistant starch consistently produces more butyrate than other types of dietary fibre (PMID: 14747692). The production of butyrate from fibres in ruminant animals such as cattle is responsible for the butyrate content of milk and butter. Butyrate has a number of important biological functions and binds to several specific receptors. In humans, butyric acid is one of two primary endogenous agonists of human hydroxycarboxylic acid receptor 2 (HCA2), a G protein-coupled receptor. Like other SCFAs, butyrate is also an agonist at the free fatty acid receptors FFAR2 and FFAR3, which function as nutrient sensors that facilitate the homeostatic control of energy balance. Butyrate is essential to host immune homeostasis (PMID: 25875123). Butyrate's effects on the immune system are mediated through the inhibition of class I histone deacetylases (specifically, HDAC1, HDAC2, HDAC3, and HDAC8) and activation of its G-protein coupled receptor targets including HCA2, FFAR2 and FFAR3. Among the short-chain fatty acids, butyrate is the most potent promoter of intestinal regulatory T cells in vitro and the only SCFA that is an HCA2 ligand (PMID: 25741338). Butyrate has been shown to be a critical mediator of the colonic inflammatory response. It possesses both preventive and therapeutic potential to counteract inflammation-mediated ulcerative colitis and colorectal cancer. As a short-chain fatty acid, butyrate is metabolized by mitochondria as an energy source through fatty acid metabolism. In particular, it is an important energy source for cells lining the mammalian colon (colonocytes). Without butyrate, colon cells undergo autophagy (i.e., self-digestion) and die.

同义词

1:1-Butanoic acid

2:1-Butyric acid

3:1-Propanecarboxylic acid

4:4:0

5:Acide butanoique

6:Acide butyrique

7:Butanic acid

8:Butanoate

9:Butanoic acid

10:Butoic acid

11:Buttersaeure

12:C4:0

13:CH3-[CH2]2-COOH

14:Ethylacetic acid

15:N-Butanoic acid

16:N-Butyric acid

17:Propanecarboxylic acid

18:Propylformic acid

19:Butyrate

20:1-Butanoate

21:1-Butyrate

22:1-Propanecarboxylate

23:Butanate

24:Butoate

25:Ethylacetate

26:N-Butanoate

27:N-Butyrate

28:Propanecarboxylate

29:Propylformate

30:Honey robber

31:Kyselina maselna

32:Butyrate, magnesium

33:Magnesium butyrate

34:Acid, butyric

35:Butyrate, sodium

36:Dibutyrate, magnesium

37:Magnesium dibutyrate

38:Sodium butyrate

39:Acid, butanoic

40:Butyric acid magnesium salt

41:Butyric acid, sodium salt

42:FA(4:0)

43:Butyric acid

化学式

C4H8O2

平均分子量

88.1051

等位分子量

88.0524295

化学名称

butanoic acid

传统名称

butyric acid

CAS 登记号

107-92-6

代谢物结构字符串

CCCC(O)=O

inchi标识符

InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

印记键

FERIUCNNQQJTOY-UHFFFAOYSA-N

分类学

description: belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.

description:Straight chain fatty acids

kingdom:Organic compounds

super_class:Lipids and lipid-like molecules

class:Fatty Acyls

sub_class:Fatty acids and conjugates

molecular_framework:Aliphatic acyclic compounds

1:Carbonyl compounds

2:Carboxylic acids

3:Hydrocarbon derivatives

4:Monocarboxylic acids and derivatives

5:Organic oxides

6:Aliphatic acyclic compound

7:Carbonyl group

8:Carboxylic acid

9:Carboxylic acid derivative

10:Hydrocarbon derivative

11:Monocarboxylic acid or derivatives

12:Organic oxide

13:Organic oxygen compound

14:Organooxygen compound

15:Straight chain fatty acid

16:Saturated fatty acids

17:Straight chain fatty acids

18:Straight chain fatty acids

19:short-chain fatty acid

20:straight-chain saturated fatty acid

本体论

term:Physiological effect

definition:The effect on an organism physiology, resulting from its exposure to a chemical.

parent_id:

level:1

type:parent

term:Health effect

definition:A health condition or observation associated with a stimuli or with a biological activity of a chemical.

parent_id:7693

*level:2

type:parent

term:Observation

definition:A short term health effect which reflects the reponse of the body to stimuli or is a symptom of a disease or condition; also includes health status which reflects stage in life.

parent_id:7694

**level:3

type:parent

term:Paralysis

definition:

parent_id:7717

***level:4

type:child

term:Health condition

definition:A health effect that consists on short or long-term disease, condition, disorder, syndrome or constant abnormality.

parent_id:7694

**level:3

type:parent

term:Aids

definition:

parent_id:7695

***level:4

type:child

synonym:Hiv

synonym:Acquired immunodeficiency syndrome

synonym:Acquired immune deficiency syndrome

term:Collapse

definition:A disorder characterized by a failure of a physiologic function or system (NCI).

parent_id:7695

***level:4

type:child

term:Coma

definition:A state of profound unconsciousness associated with markedly depressed cerebral activity. Causes include central nervous system damage, intoxication, and metabolic abnormalities.

parent_id:7695

***level:4

type:child

term:Vascular disorders

definition:Any disorder that affects the blood vessels.

parent_id:7695

***level:4

type:parent

term:Metabolism and nutrition disorders

definition:A group of disorders, inherited or not, that result in a metabolic malfunction.

parent_id:7695

***level:4

type:parent

term:Musculoskeletal and connective tissue disorders

definition:Any disorder (non-neoplastic or neoplastic) that affects muscles, bones and other connective tissue.

parent_id:7695

***level:4

type:parent

term:General disorders and administration site conditions

definition:Any disorder that was not classified under a specific system.

parent_id:7695

***level:4

type:parent

term:Nervous system disorders

definition:Any disorder (non-neoplastic or neoplastic) that affects the brain, spinal cord, or peripheral nerves.

parent_id:7695

***level:4

type:parent

term:Gastrointestinal disorders

definition:Any disorder (non-neoplastic or neoplastic) that affects the gastrointestinal tract.

parent_id:7695

***level:4

type:parent

term:Psychiatric disorders

definition:A group of disorders characterized by behavioral and/or psychological abnormalities, often accompanied by physical symptoms. the symptoms may cause clinically significant distress or impairment in social and occupational areas of functioning. representative examples include anxiety disorders, cognitive disorders, mood disorders and schizophrenia. (nci).

parent_id:7695

***level:4

type:parent

term:Disposition

definition:A concept that describes the origin of a chemical, its location within an organism, or its route of exposure.

parent_id:

level:1

type:parent

term:Route of exposure

definition:A mean by which a chemical agent comes in contact with an organism, either under intended or unintended circumstances.

parent_id:7724

*level:2

type:parent

term:Enteral

definition:Chemical exposure via the alimentary canal (mouth to anus).

parent_id:7743

**level:3

type:parent

term:Ingestion

definition:Chemical exposure facilitated by entry through the mouth.

parent_id:7744

***level:4

type:child

synonym:Digestion

term:Source

definition:Natural or synthetic origin of a chemical.

parent_id:7724

*level:2

type:parent

term:Endogenous

definition:

parent_id:7735

**level:3

type:child

term:Food

definition:

parent_id:7735

**level:3

type:child

term:Biological

definition:A living organism (species or a higher taxonomy rank), in which a chemical can be found.

parent_id:7735

**level:3

type:parent

term:Animal

definition:A living organism belonging to the kingdom animalia. it feeds on organic matter, typically having specialized sense organs and nervous system and able to respond rapidly to stimuli.

parent_id:7736

***level:4

type:child

synonym:Fauna

term:Microbe

definition:A living organism that is of a microscopic scale, either single-celled or a cluster of cells.

parent_id:7736

***level:4

type:parent

term:Plant

definition:A living organism belonging to the kingdom plantea. typically, it grows in a permanent site, absorbs water and inorganic substances through its roots, and synthesizes nutrients in its leaves by photosynthesis using the green pigment chlorophyll. examples incude trees, shrubs, herbs, grasses, ferns, and mosses.

parent_id:7736

***level:4

type:parent

synonym:Flora

term:Biological location

definition:The physiological origin within an organism, including anatomical compnents, biofluids and excreta.

parent_id:7724

*level:2

type:parent

term:Tissue and substructures

definition:An anatomical organizational level including multiple cells yet not comprising a complete organ .

parent_id:7725

**level:3

type:parent

term:Muscle

definition:A fibrous soft tissue with the ability to contract to produce force and motion. (nci).

parent_id:7729

***level:4

type:child

term:Organ and components

definition:An anatomical organizational level including multiple tissues or substructures, which enables a common biological function.

parent_id:7725

**level:3

type:parent

term:Large intestine

definition:The avillous section of the intestine composed of crypts and extending from the terminal small intestine to the external orifice. (nci).

parent_id:7727

***level:4

type:child

term:Intestine

definition:The portion of the gastrointestinal tract that includes the small and large intestines.

parent_id:7727

***level:4

type:child

term:Prostate

definition:The male reproductive accessory gland that produces prostatic fluid and is located adjacent to or around the urethra distal to the urinary bladder in mammals. (nci).

parent_id:7727

***level:4

type:child

synonym:Prostate gland

term:Kidney

definition:The organs of the urinary tract located in the retroperitoneal cavity adjacent to the spine and composed of the renal cortex and the renal medulla. (nci).

parent_id:7727

***level:4

type:child

synonym:Kidneys

term:Biofluid and excreta

definition:A liquid, semi-solid or solid material originating in the body.

parent_id:7725

**level:3

type:parent

term:Urine

definition:Excretion in liquid state processed by the kidney.

parent_id:7731

***level:4

type:child

term:Saliva

definition:The watery fluid in the mouth made by the salivary glands. saliva moistens food to help digestion and it helps protect the mouth against infections. (nci).

parent_id:7731

***level:4

type:child

term:Feces

definition:The material discharged from the bowel during defecation. It consists of undigested food, intestinal mucus, epithelial cells, and bacteria.

parent_id:7731

***level:4

type:child

synonym:Fecal

synonym:Stool

synonym:Faecal

synonym:Faeces

term:Blood

definition:A liquid tissue with the primary function of transporting oxygen and carbon dioxide (nci). it supplies the tissues with nutrients, removes waste products, and contains various components of the immune system defending the body against infection.

parent_id:7731

***level:4

type:child

term:Breast milk

definition:Portion of secreted substance produced by the mammary gland.

parent_id:7731

***level:4

type:child

term:Cerebrospinal fluid

definition:The fluid that is contained within the brain ventricles, the subarachnoid space and the central canal of the spinal cord. (nci).

parent_id:7731

***level:4

type:child

synonym:Csf

term:Subcellular

definition:An anatomical organizational level including a component within a biological cell .

parent_id:7725

**level:3

type:parent

term:Cytoplasm

definition:The portion of the cell contained within the plasma membrane but excluding the nucleus.

parent_id:7730

***level:4

type:child

synonym:Cytoplasma

term:Membrane

definition:

parent_id:7730

***level:4

type:child

term:Mitochondria

definition:

parent_id:7730

***level:4

type:child

term:Cell membrane

definition:A cellular compartment that separates a cellВ interiorВ from its exterior.

parent_id:7730

***level:4

type:child

synonym:Cellular membrane

term:Adiposome

definition:An intracellular non-membrane-bounded organelle comprising a matrix of coalesced lipids surrounded by a phospholipid monolayer. may include associated proteins.В source:В goc:tb,goc:mah.

parent_id:7730

***level:4

type:child

synonym:Lipid droplet

synonym:Lipid body

synonym:Lipid particle

term:Cell and elements

definition:An anatomical organizational level comprising of a single cell (or a fragment in some exceptions). a cell is defined by its type or function. it is the smallest unit of living structure capable of independent existence, composed of a membrane-enclosed mass of protoplasm and containing a nucleus or nucleoid.

parent_id:7725

**level:3

type:parent

term:Extracellular

definition:The space external to the outermost structure of a cell.

parent_id:7732

***level:4

type:child

synonym:Extracellular region

term:Cell

definition:

parent_id:7732

***level:4

type:parent

term:Process

definition:Biological or chemical events, or a series thereof, leading to a known function or end-product.

parent_id:

level:1

type:parent

term:Naturally occurring process

definition:Naturally-occurring molecular events or a series thereof, leading to a known function or end-product.

parent_id:7659

*level:2

type:parent

term:Biological process

definition:Biological or chemical events or a series thereof, leading to a known function or end-product within an organism.

parent_id:7660

**level:3

type:parent

term:Biochemical process

definition:A biological process occurring at the subcellular level, involving biochemical reactions.

parent_id:7661

***level:4

type:parent

term:Chemical reaction

definition:A defined chemical event that occurs within or between organism cells.

parent_id:7661

***level:4

type:parent

term:Cellular process

definition:A biological process occurring within a cell or its surroundings.

parent_id:7661

***level:4

type:parent

term:Biochemical pathway

definition:A linked series of chemical reactions that occur in a defined order within or between organism cells, and lead to a known function or end product.

parent_id:7661

***level:4

type:parent

term:Role

definition:The purpose or function assumed by a chemical, either naturally or as intended by humans .

parent_id:

level:1

type:parent

term:Environmental role

definition:A direct or indirect function of chemical product or process which affect the components of the environment.

parent_id:7671

*level:2

type:parent

term:Air pollutant

definition:An airborne chemical substance, natural or synthetic, that is harmful to organisms and the environment. may consist of solid particles, liquid droplets or gases, or combinations of these forms.

parent_id:7692

**level:3

type:child

term:Industrial application

definition:The assumed function of a chemical utilized by human.

parent_id:7671

*level:2

type:parent

term:Food and nutrition

definition:A chemical purpose related to manufacturing of food and nutrition products.

parent_id:7678

**level:3

type:child

term:Surfactant

definition:A chemical substance that has the ability to lower the surface tension of water or to reduce the interfacial tension between two immiscible substances. in the cspa consumer product ingredients dictionary, surfactants are classified on the basis of their ionic characteristics, as amphoteric, anionic, cationic, or nonionic; and functions, which are subdivided into the following major groups: surfactant - cleaning agent, surfactant - conditioning agent, surfactant - emulsifying agent, surfactant - foam booster , surfactant hydrotrop , surfactant - solubility agent, surfactant - suspending agent.

parent_id:7678

**level:3

type:child

synonym:Surface-active agent

term:Emulsifier

definition:Substances that promote the formation and stability of a suspension of fine particles of a liquid in another liquid.

parent_id:7678

**level:3

type:child

term:Pharmaceutical industry

definition:A pharmacologic activity for which a chemical substance is utilized owing to its biological role.

parent_id:7678

**level:3

type:parent

term:Pharmaceutical

definition:

parent_id:7679

***level:4

type:child

term:Biological role

definition:The biological function of a chemical. the biological role answers the question how a chemical is involved in molecular processes in an organism. this can include biochemical effects of non-endogenous chemicals, which are also assigned an industrial application such as pharmaceuticals. the biological role is limited to cellular levls, and will not include role at system process level, such as a chemical which has a role in a disease.

parent_id:7671

*level:2

type:parent

term:Energy source

definition:

parent_id:7672

**level:3

type:child

term:Membrane stabilizer

definition:A chemical substance that supports the formation and maintenance of a structurally-sound and functioning cell or organelle membrane. Phospholipids form a bilayer and maintain the stability of the membrane structure together with proteins, and other lipids (i.e. cholesterol) which further strengthen it and decrease its permeability.

parent_id:7672

**level:3

type:child

synonym:Membrane stability agent

synonym:Membrane integrity agent

term:Energy storage

definition:A chemical substance which can be utilized for production of energy in the organism.

parent_id:7672

**level:3

type:child

term:Nutrient

definition:A chamical substance in food, further ingested and utilized by an organism for its well-being, growth and reproduction.

parent_id:7672

**level:3

type:child

状态

Liquid

实验性质

kind:water_solubility

value:60.0 mg/mL

source:

kind:logp

value:0.79

source:HANSCH,C ET AL. (1995)

kind:melting_point

value:-5.7 °C

source:

预测性质

kind:logp

value:0.78

source:ALOGPS

kind:logs

value:0.43

source:ALOGPS

kind:solubility

value:239 g/L

source:ALOGPS

kind:logp

value:0.92

source:ChemAxon

kind:pka_strongest_acidic

value:4.91

source:ChemAxon

kind:iupac

value:butanoic acid

source:ChemAxon

kind:average_mass

value:88.1051

source:ChemAxon

kind:mono_mass

value:88.0524295

source:ChemAxon

kind:smiles

value:CCCC(O)=O

source:ChemAxon

10:

kind:formula

value:C4H8O2

source:ChemAxon

11:

kind:inchi

value:InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

source:ChemAxon

12:

kind:inchikey

value:FERIUCNNQQJTOY-UHFFFAOYSA-N

source:ChemAxon

13:

kind:polar_surface_area

value:37.3

source:ChemAxon

14:

kind:refractivity

value:21.87

source:ChemAxon

15:

kind:polarizability

value:9.22

source:ChemAxon

16:

kind:rotatable_bond_count

value:2

source:ChemAxon

17:

kind:acceptor_count

value:2

source:ChemAxon

18:

kind:donor_count

value:1

source:ChemAxon

19:

kind:physiological_charge

value:-1

source:ChemAxon

20:

kind:formal_charge

value:0

source:ChemAxon

21:

kind:number_of_rings

value:0

source:ChemAxon

22:

kind:bioavailability

value:Yes

source:ChemAxon

23:

kind:rule_of_five

value:Yes

source:ChemAxon

24:

kind:ghose_filter

value:No

source:ChemAxon

25:

kind:veber_rule

value:Yes

source:ChemAxon

26:

kind:mddr_like_rule

value:No

source:ChemAxon

type:Specdb::EiMs

spectrum_id:1145

type:Specdb::NmrTwoD

spectrum_id:1105

type:Specdb::NmrOneD

spectrum_id:1047

type:Specdb::NmrOneD

spectrum_id:1124

type:Specdb::NmrOneD

spectrum_id:2112

type:Specdb::NmrOneD

spectrum_id:2805

type:Specdb::NmrOneD

spectrum_id:5025

type:Specdb::NmrOneD

spectrum_id:5026

type:Specdb::MsMs

spectrum_id:66

10:

type:Specdb::MsMs

spectrum_id:67

11:

type:Specdb::MsMs

spectrum_id:68

12:

type:Specdb::MsMs

spectrum_id:2630

13:

type:Specdb::MsMs

spectrum_id:2631

14:

type:Specdb::MsMs

spectrum_id:2632

15:

type:Specdb::MsMs

spectrum_id:2633

16:

type:Specdb::MsMs

spectrum_id:2634

17:

type:Specdb::MsMs

spectrum_id:19868

18:

type:Specdb::MsMs

spectrum_id:19869

19:

type:Specdb::MsMs

spectrum_id:19870

20:

type:Specdb::MsMs

spectrum_id:21419

21:

type:Specdb::MsMs

spectrum_id:21420

22:

type:Specdb::MsMs

spectrum_id:21421

23:

type:Specdb::MsMs

spectrum_id:437337

24:

type:Specdb::MsMs

spectrum_id:437338

25:

type:Specdb::MsMs

spectrum_id:437339

26:

type:Specdb::MsMs

spectrum_id:2464911

27:

type:Specdb::MsMs

spectrum_id:2464912

28:

type:Specdb::MsMs

spectrum_id:2464913

29:

type:Specdb::MsMs

spectrum_id:2501321

30:

type:Specdb::MsMs

spectrum_id:2501322

31:

type:Specdb::MsMs

spectrum_id:2501323

32:

type:Specdb::CMs

spectrum_id:3459

33:

type:Specdb::CMs

spectrum_id:27166

34:

type:Specdb::CMs

spectrum_id:29453

35:

type:Specdb::CMs

spectrum_id:37261

36:

type:Specdb::CMs

spectrum_id:99521

37:

type:Specdb::CMs

spectrum_id:99522

38:

type:Specdb::CMs

spectrum_id:171081

光谱

生物学性质

cellular:(1):Cytoplasm

cellular:(2):Extracellular

cellular:(3):Membrane

cellular:(4):Mitochondria

biospecimen:(1):Blood

biospecimen:(2):Breast Milk

biospecimen:(3):Breath

biospecimen:(4):Cerebrospinal Fluid (CSF)

biospecimen:(5):Feces

biospecimen:(6):Saliva

biospecimen:(7):Urine

tissue:(1):Fibroblasts

tissue:(2):Intestine

tissue:(3):Kidney

tissue:(4):Neuron

tissue:(5):Prostate

tissue:(6):Skeletal Muscle

[1]:

name:Butyrate Metabolism

smpdb_id:SMP00073

kegg_map_id:map00650

[2]:

name:Fatty Acid Biosynthesis

smpdb_id:SMP00456

kegg_map_id:

正常浓度

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:1.0 (0.3- 1.5)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Breast Milk

concentration_value:192 +/- 149

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:1.4 (0-2.8)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

11:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

12:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

13:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

14:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

15:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

16:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

17:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

18:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

19:

biospecimen:Feces

concentration_value:4440-11900

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

20:

biospecimen:Feces

concentration_value:12400 (4000-53000)

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

21:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

22:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

23:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

24:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

25:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

26:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

27:

biospecimen:Feces

concentration_value:6350 +/- 3130

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

28:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

29:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

30:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

31:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

32:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

33:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

34:

biospecimen:Feces

concentration_value:0-56788.237

concentration_units:nmol/g wet feces

subject_age:Children (1-13 years old)

subject_sex:Not Specified

subject_condition:Normal

35:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

36:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

37:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

38:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

39:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

40:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

41:

biospecimen:Saliva

concentration_value:80 +/- 120

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

42:

biospecimen:Saliva

concentration_value:130 +/- 250

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

43:

biospecimen:Saliva

concentration_value:130 +/- 270

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

44:

biospecimen:Saliva

concentration_value:110 +/- 300

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

45:

biospecimen:Saliva

concentration_value:12.5 +/- 8.39

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

46:

biospecimen:Saliva

concentration_value:13.3 +/- 12.8

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

47:

biospecimen:Saliva

concentration_value:110 +/- 310

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

48:

biospecimen:Saliva

concentration_value:170 +/- 600

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

49:

biospecimen:Saliva

concentration_value:18.3 +/- 13.0

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

50:

biospecimen:Saliva

concentration_value:70 +/- 140

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

51:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

52:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

53:

biospecimen:Saliva

concentration_value:277.27 +/- 199.47

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

54:

biospecimen:Saliva

concentration_value:1470 (0.00-2940)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

55:

biospecimen:Urine

concentration_value:1.6 (0.5-4.0)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

56:

biospecimen:Urine

concentration_value:0.131 +/- 0.013

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

57:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

58:

biospecimen:Urine

concentration_value:3.2 (0.0-6.4)

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

59:

biospecimen:Urine

concentration_value:42.0 (21.0-81.0)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

60:

biospecimen:Urine

concentration_value:4.002 +/- 2.176

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

61:

biospecimen:Urine

concentration_value:0.06-0.86

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

62:

biospecimen:Urine

concentration_value:0.25 +/- 0.15

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Female

subject_condition:Normal

63:

biospecimen:Urine

concentration_value:0.34 +/- 0.20

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Male

subject_condition:Normal

64:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

异常浓度

biospecimen:Breath

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Not Specified

patient_information:Asthma

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Autism

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Pervasive Developmental Disorder Not Otherwise Specified

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Colorectal cancer

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:ankylosing spondylitis

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:rheumatoid arthritis

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohns disease

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

10:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Intestinal infections

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Infant (0-1 year old)

patient_sex:Not Specified

patient_information:Genetically At-Risk of celiac disease

12:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Campylobacter jejuni infection

13:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Myalgic encephalomyelitis/chronic fatigue syndrome

14:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Clostridium difficile infection

15:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative Colitis

16:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Irritable bowel syndrome

17:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

18:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - <8 years old)

patient_sex:Female

patient_information:juvenile idiopathic arthritis

19:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:asymptomatic diverticulosis

20:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:symptomatic uncomplicated diverticular disease

21:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Crohn's disease

22:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Ulcerative colitis

23:

biospecimen:Feces

concentration_value:0.0122 (0.000250-0.0173)

concentration_units:nmol/g wet feces

patient_age:Infant (0-1 year old)

patient_sex:Not Specified

patient_information:Crohns disease

24:

biospecimen:Feces

concentration_value:0.00192 (0.000045-0.0152)

concentration_units:nmol/g wet feces

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Ulcerative colitis

25:

biospecimen:Feces

concentration_value:0.00713 (0.000942-0.0155)

concentration_units:nmol/g wet feces

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Irritable bowel syndrome

26:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

27:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

28:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohn’s Disease

29:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative Colitis

30:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohns disease

31:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohns disease

32:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

33:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

34:

biospecimen:Feces

concentration_value:0-149026.560

concentration_units:nmol/g wet feces

patient_age:Children (1-13 years old)

patient_sex:Not Specified

patient_information:Treated celiac disease

35:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Interstitial cystitis

36:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Immunoglobulin A nephropathy (IgAN) non progressor

37:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Immunoglobulin A nephropathy (IgAN) progressor

38:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

39:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Nonalcoholic fatty liver disease (NAFLD)

40:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

41:

biospecimen:Saliva

concentration_value:20.5 +/- 16.5

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Dental caries

42:

biospecimen:Urine

concentration_value:0.18 +/- 0.044

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:AIDS

43:

biospecimen:Urine

concentration_value:4.256 +/- 3.945

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

疾病参考

name:Asthma

omim_id:600807

[1]:

reference_text:Zydron M, Baranowski J, Baranowska I: Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples. J Sep Sci. 2004 Oct;27(14):1166-72.

pubmed_id:15537072

[2]:

reference_text:Chavis C, Fraissinet L, Chanez P, Thomas E, Bousquet J: A method for the measurement of plasma hydroxyeicosatetraenoic acid levels. Anal Biochem. 1999 Jun 15;271(1):105-8.

pubmed_id:10361015

[3]:

reference_text:Mai XM, Bottcher MF, Bruhammar M, Nilsson L, Zetterstrom O: Urinary inflammatory mediators and inhalation of hypertonic saline in children. Allergy. 2005 Jan;60(1):60-4.

pubmed_id:15575932

[4]:

reference_text:Mita H, Higashi N, Taniguchi M, Higashi A, Kawagishi Y, Akiyama K: Urinary 3-bromotyrosine and 3-chlorotyrosine concentrations in asthmatic patients: lack of increase in 3-bromotyrosine concentration in urine and plasma proteins in aspirin-induced asthma after intravenous aspirin challenge. Clin Exp Allergy. 2004 Jun;34(6):931-8.

pubmed_id:15196282

[5]:

reference_text:Mattarucchi E, Baraldi E, Guillou C: Metabolomics applied to urine samples in childhood asthma; differentiation between asthma phenotypes and identification of relevant metabolites. Biomed Chromatogr. 2012 Jan;26(1):89-94. doi: 10.1002/bmc.1631. Epub 2011 Apr 4.

pubmed_id:21465502

[6]:

reference_text:Smolinska A, Klaassen EM, Dallinga JW, van de Kant KD, Jobsis Q, Moonen EJ, van Schayck OC, Dompeling E, van Schooten FJ: Profiling of volatile organic compounds in exhaled breath as a strategy to find early predictive signatures of asthma in children. PLoS One. 2014 Apr 21;9(4):e95668. doi: 10.1371/journal.pone.0095668. eCollection 2014.

pubmed_id:24752575

[7]:

reference_text:Olopade CO, Zakkar M, Swedler WI, Rubinstein I: Exhaled pentane levels in acute asthma. Chest. 1997 Apr;111(4):862-5. doi: 10.1378/chest.111.4.862.

pubmed_id:9106561

[8]:

reference_text:Caldeira M, Barros AS, Bilelo MJ, Parada A, Camara JS, Rocha SM: Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology. J Chromatogr A. 2011 Jun 17;1218(24):3771-80. doi: 10.1016/j.chroma.2011.04.026. Epub 2011 Apr 16.

pubmed_id:21546028

[9]:

reference_text:Caldeira M, Perestrelo R, Barros AS, Bilelo MJ, Morete A, Camara JS, Rocha SM: Allergic asthma exhaled breath metabolome: a challenge for comprehensive two-dimensional gas chromatography. J Chromatogr A. 2012 Sep 7;1254:87-97. doi: 10.1016/j.chroma.2012.07.023. Epub 2012 Jul 16.

pubmed_id:22835687

[10]:

reference_text:Dallinga JW, Robroeks CM, van Berkel JJ, Moonen EJ, Godschalk RW, Jobsis Q, Dompeling E, Wouters EF, van Schooten FJ: Volatile organic compounds in exhaled breath as a diagnostic tool for asthma in children. Clin Exp Allergy. 2010 Jan;40(1):68-76. doi: 10.1111/j.1365-2222.2009.03343.x. Epub 2009 Sep 28.

pubmed_id:19793086

[11]:

reference_text:Dragonieri S, Schot R, Mertens BJ, Le Cessie S, Gauw SA, Spanevello A, Resta O, Willard NP, Vink TJ, Rabe KF, Bel EH, Sterk PJ: An electronic nose in the discrimination of patients with asthma and controls. J Allergy Clin Immunol. 2007 Oct;120(4):856-62. doi: 10.1016/j.jaci.2007.05.043. Epub 2007 Jul 20.

pubmed_id:17658592

[12]:

reference_text:Gahleitner F, Guallar-Hoyas C, Beardsmore CS, Pandya HC, Thomas CP: Metabolomics pilot study to identify volatile organic compound markers of childhood asthma in exhaled breath. Bioanalysis. 2013 Sep;5(18):2239-47. doi: 10.4155/bio.13.184.

pubmed_id:24053239

[13]:

reference_text:Ibrahim B, Basanta M, Cadden P, Singh D, Douce D, Woodcock A, Fowler SJ: Non-invasive phenotyping using exhaled volatile organic compounds in asthma. Thorax. 2011 Sep;66(9):804-9. doi: 10.1136/thx.2010.156695. Epub 2011 Jul 11.

pubmed_id:21749985

[14]:

reference_text:van de Kant KD, van Berkel JJ, Jobsis Q, Lima Passos V, Klaassen EM, van der Sande L, van Schayck OC, de Jongste JC, van Schooten FJ, Derks E, Dompeling E, Dallinga JW: Exhaled breath profiling in diagnosing wheezy preschool children. Eur Respir J. 2013 Jan;41(1):183-8. doi: 10.1183/09031936.00122411.

pubmed_id:23277518

name:Crohn's disease

omim_id:266600

[1]:

reference_text:Lapidus A, Akerlund JE, Einarsson C: Gallbladder bile composition in patients with Crohn 's disease. World J Gastroenterol. 2006 Jan 7;12(1):70-4.

pubmed_id:16440420

[2]:

reference_text:Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40.

pubmed_id:11418788

[3]:

reference_text:Brydon WG, Nyhlin H, Eastwood MA, Merrick MV: Serum 7 alpha-hydroxy-4-cholesten-3-one and selenohomocholyltaurine (SeHCAT) whole body retention in the assessment of bile acid induced diarrhoea. Eur J Gastroenterol Hepatol. 1996 Feb;8(2):117-23.

pubmed_id:8723414

[4]:

reference_text:Williams HR, Cox IJ, Walker DG, North BV, Patel VM, Marshall SE, Jewell DP, Ghosh S, Thomas HJ, Teare JP, Jakobovits S, Zeki S, Welsh KI, Taylor-Robinson SD, Orchard TR: Characterization of inflammatory bowel disease with urinary metabolic profiling. Am J Gastroenterol. 2009 Jun;104(6):1435-44. doi: 10.1038/ajg.2009.175. Epub 2009 Apr 28.

pubmed_id:19491857

[5]:

reference_text:Marchesi JR, Holmes E, Khan F, Kochhar S, Scanlan P, Shanahan F, Wilson ID, Wang Y: Rapid and noninvasive metabonomic characterization of inflammatory bowel disease. J Proteome Res. 2007 Feb;6(2):546-51.

pubmed_id:17269711

[6]:

reference_text:Ahmed I, Greenwood R, Costello Bde L, Ratcliffe NM, Probert CS: An investigation of fecal volatile organic metabolites in irritable bowel syndrome. PLoS One. 2013;8(3):e58204. doi: 10.1371/journal.pone.0058204. Epub 2013 Mar 13.

pubmed_id:23516449

[7]:

reference_text:Walton C, Fowler DP, Turner C, Jia W, Whitehead RN, Griffiths L, Dawson C, Waring RH, Ramsden DB, Cole JA, Cauchi M, Bessant C, Hunter JO: Analysis of volatile organic compounds of bacterial origin in chronic gastrointestinal diseases. Inflamm Bowel Dis. 2013 Sep;19(10):2069-78. doi: 10.1097/MIB.0b013e31829a91f6.

pubmed_id:23867873

[8]:

reference_text:De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8.

pubmed_id:24811995

[9]:

reference_text:Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1.

pubmed_id:25598765

[10]:

reference_text:Ahmed I, Greenwood R, Costello B, Ratcliffe N, Probert CS: Investigation of faecal volatile organic metabolites as novel diagnostic biomarkers in inflammatory bowel disease. Aliment Pharmacol Ther. 2016 Mar;43(5):596-611. doi: 10.1111/apt.13522. Epub 2016 Jan 25.

pubmed_id:26806034

[11]:

reference_text:Lee T, Clavel T, Smirnov K, Schmidt A, Lagkouvardos I, Walker A, Lucio M, Michalke B, Schmitt-Kopplin P, Fedorak R, Haller D: Oral versus intravenous iron replacement therapy distinctly alters the gut microbiota and metabolome in patients with IBD. Gut. 2017 May;66(5):863-871. doi: 10.1136/gutjnl-2015-309940. Epub 2016 Feb 4.

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name:Ulcerative colitis

omim_id:

[1]:

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[9]:

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[10]:

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[11]:

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[12]:

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[13]:

pubmed_id:28842642

name:Colorectal cancer

omim_id:114500

[1]:

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reference_text:Ikeda A, Nishiumi S, Shinohara M, Yoshie T, Hatano N, Okuno T, Bamba T, Fukusaki E, Takenawa T, Azuma T, Yoshida M: Serum metabolomics as a novel diagnostic approach for gastrointestinal cancer. Biomed Chromatogr. 2012 May;26(5):548-58. doi: 10.1002/bmc.1671. Epub 2011 Jul 20.

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reference_text:Lin Y, Ma C, Liu C, Wang Z, Yang J, Liu X, Shen Z, Wu R: NMR-based fecal metabolomics fingerprinting as predictors of earlier diagnosis in patients with colorectal cancer. Oncotarget. 2016 May 17;7(20):29454-64. doi: 10.18632/oncotarget.8762.

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reference_text:Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016.

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reference_text:Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20.

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reference_text:Silke Matysik, Caroline Ivanne Le Roy, Gerhard Liebisch, Sandrine Paule Claus. Metabolomics of fecal samples: A practical consideration. Trends in Food Science & Technology. Vol. 57, Part B, Nov. 2016, p.244-255: http://www.sciencedirect.com/science/article/pii/S0924224416301984

name:Irritable bowel syndrome

omim_id:

[1]:

reference_text:Bearcroft CP, Perrett D, Farthing MJ: Postprandial plasma 5-hydroxytryptamine in diarrhoea predominant irritable bowel syndrome: a pilot study. Gut. 1998 Jan;42(1):42-6.

pubmed_id:9505884

[2]:

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reference_text:Ponnusamy K, Choi JN, Kim J, Lee SY, Lee CH: Microbial community and metabolomic comparison of irritable bowel syndrome faeces. J Med Microbiol. 2011 Jun;60(Pt 6):817-27. doi: 10.1099/jmm.0.028126-0. Epub 2011 Feb 17.

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reference_text:Hong YS, Hong KS, Park MH, Ahn YT, Lee JH, Huh CS, Lee J, Kim IK, Hwang GS, Kim JS: Metabonomic understanding of probiotic effects in humans with irritable bowel syndrome. J Clin Gastroenterol. 2011 May-Jun;45(5):415-25. doi: 10.1097/MCG.0b013e318207f76c.

pubmed_id:21494186

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[7]:

reference_text:Zeber-Lubecka N, Kulecka M, Ambrozkiewicz F, Paziewska A, Goryca K, Karczmarski J, Rubel T, Wojtowicz W, Mlynarz P, Marczak L, Tomecki R, Mikula M, Ostrowski J: Limited prolonged effects of rifaximin treatment on irritable bowel syndrome-related differences in the fecal microbiome and metabolome. Gut Microbes. 2016 Sep 2;7(5):397-413. doi: 10.1080/19490976.2016.1215805. Epub 2016 Jul 26.

pubmed_id:27662586

name:Nonalcoholic fatty liver disease

omim_id:

[1]:

reference_text:Raman M, Ahmed I, Gillevet PM, Probert CS, Ratcliffe NM, Smith S, Greenwood R, Sikaroodi M, Lam V, Crotty P, Bailey J, Myers RP, Rioux KP: Fecal microbiome and volatile organic compound metabolome in obese humans with nonalcoholic fatty liver disease. Clin Gastroenterol Hepatol. 2013 Jul;11(7):868-75.e1-3. doi: 10.1016/j.cgh.2013.02.015. Epub 2013 Feb 27.

pubmed_id:23454028

name:Celiac disease

omim_id:212750

[1]:

reference_text:Spiller RC, Frost PF, Stewart JS, Bloom SR, Silk DB: Delayed postprandial plasma bile acid response in coeliac patients with slow mouth-caecum transit. Clin Sci (Lond). 1987 Feb;72(2):217-23.

pubmed_id:3816078

[2]:

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pubmed_id:16425363

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reference_text:Cox MA, Lewis KO, Cooper BT: Measurement of small intestinal permeability markers, lactulose, and mannitol in serum: results in celiac disease. Dig Dis Sci. 1999 Feb;44(2):402-6.

pubmed_id:10063930

[4]:

reference_text:Hallert C, Astrom J, Sedvall G: Psychic disturbances in adult coeliac disease. III. Reduced central monoamine metabolism and signs of depression. Scand J Gastroenterol. 1982 Jan;17(1):25-8.

pubmed_id:6182605

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reference_text:Hallert C, Allenmark S, Larsson-Cohn U, Sedvall G: High level of pyridoxal 5'-phosphate in the cerebrospinal fluid of adult celiac patients. Am J Clin Nutr. 1982 Nov;36(5):851-4.

pubmed_id:6182788

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reference_text:Francavilla R, Ercolini D, Piccolo M, Vannini L, Siragusa S, De Filippis F, De Pasquale I, Di Cagno R, Di Toma M, Gozzi G, Serrazanetti DI, De Angelis M, Gobbetti M: Salivary microbiota and metabolome associated with celiac disease. Appl Environ Microbiol. 2014 Jun;80(11):3416-25. doi: 10.1128/AEM.00362-14. Epub 2014 Mar 21.

pubmed_id:24657864

[7]:

reference_text:Di Cagno R, De Angelis M, De Pasquale I, Ndagijimana M, Vernocchi P, Ricciuti P, Gagliardi F, Laghi L, Crecchio C, Guerzoni ME, Gobbetti M, Francavilla R: Duodenal and faecal microbiota of celiac children: molecular, phenotype and metabolome characterization. BMC Microbiol. 2011 Oct 4;11:219. doi: 10.1186/1471-2180-11-219.

pubmed_id:21970810

[8]:

reference_text:De Angelis M, Vannini L, Di Cagno R, Cavallo N, Minervini F, Francavilla R, Ercolini D, Gobbetti M: Salivary and fecal microbiota and metabolome of celiac children under gluten-free diet. Int J Food Microbiol. 2016 Dec 19;239:125-132. doi: 10.1016/j.ijfoodmicro.2016.07.025. Epub 2016 Jul 19.

pubmed_id:27452636

name:Autism

omim_id:209850

[1]:

reference_text:Shaw W: Increased urinary excretion of a 3-(3-hydroxyphenyl)-3-hydroxypropionic acid (HPHPA), an abnormal phenylalanine metabolite of Clostridia spp. in the gastrointestinal tract, in urine samples from patients with autism and schizophrenia. Nutr Neurosci. 2010 Jun;13(3):135-43. doi: 10.1179/147683010X12611460763968.

pubmed_id:20423563

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reference_text:Narayan M, Srinath S, Anderson GM, Meundi DB: Cerebrospinal fluid levels of homovanillic acid and 5-hydroxyindoleacetic acid in autism. Biol Psychiatry. 1993 Apr 15-May 1;33(8-9):630-5.

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reference_text:Jaeken J, Van den Berghe G: An infantile autistic syndrome characterised by the presence of succinylpurines in body fluids. Lancet. 1984 Nov 10;2(8411):1058-61.

pubmed_id:6150139

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reference_text:James SJ, Cutler P, Melnyk S, Jernigan S, Janak L, Gaylor DW, Neubrander JA: Metabolic biomarkers of increased oxidative stress and impaired methylation capacity in children with autism. Am J Clin Nutr. 2004 Dec;80(6):1611-7.

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reference_text:Anderson GM, Ross DL, Klykylo W, Feibel FC, Cohen DJ: Cerebrospinal fluid indoleacetic acid in autistic subjects. J Autism Dev Disord. 1988 Jun;18(2):259-62.

pubmed_id:3410814

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reference_text:Kusaga A, Yamashita Y, Koeda T, Hiratani M, Kaneko M, Yamada S, Matsuishi T: Increased urine phenylethylamine after methylphenidate treatment in children with ADHD. Ann Neurol. 2002 Sep;52(3):372-4.

pubmed_id:12205654

[7]:

reference_text:De Angelis M, Piccolo M, Vannini L, Siragusa S, De Giacomo A, Serrazzanetti DI, Cristofori F, Guerzoni ME, Gobbetti M, Francavilla R: Fecal microbiota and metabolome of children with autism and pervasive developmental disorder not otherwise specified. PLoS One. 2013 Oct 9;8(10):e76993. doi: 10.1371/journal.pone.0076993. eCollection 2013.

pubmed_id:24130822

name:Pervasive developmental disorder not otherwise specified

omim_id:

[1]:

pubmed_id:24130822

10:

name:Bladder infections

omim_id:

[1]:

reference_text:Tricker AR, Pfundstein B, Kalble T, Preussmann R: Secondary amine precursors to nitrosamines in human saliva, gastric juice, blood, urine and faeces. Carcinogenesis. 1992 Apr;13(4):563-8.

pubmed_id:1576707

[2]:

reference_text:Braundmeier-Fleming A, Russell NT, Yang W, Nas MY, Yaggie RE, Berry M, Bachrach L, Flury SC, Marko DS, Bushell CB, Welge ME, White BA, Schaeffer AJ, Klumpp DJ: Stool-based biomarkers of interstitial cystitis/bladder pain syndrome. Sci Rep. 2016 May 18;6:26083. doi: 10.1038/srep26083.

pubmed_id:27188581

11:

name:Diverticular disease

omim_id:

[1]:

pubmed_id:8723414

[2]:

reference_text:Tursi A, Mastromarino P, Capobianco D, Elisei W, Miccheli A, Capuani G, Tomassini A, Campagna G, Picchio M, Giorgetti G, Fabiocchi F, Brandimarte G: Assessment of Fecal Microbiota and Fecal Metabolome in Symptomatic Uncomplicated Diverticular Disease of the Colon. J Clin Gastroenterol. 2016 Oct;50 Suppl 1:S9-S12. doi: 10.1097/MCG.0000000000000626.

pubmed_id:27622378

12:

name:Rheumatoid arthritis

omim_id:180300

[1]:

reference_text:Laitinen O, Seppala E, Nissila M, Vapaatalo H: Plasma levels and urinary excretion of prostaglandins in patients with rheumatoid arthritis. Clin Rheumatol. 1983 Dec;2(4):401-6.

pubmed_id:6589104

[2]:

reference_text:Chiang EP, Smith DE, Selhub J, Dallal G, Wang YC, Roubenoff R: Inflammation causes tissue-specific depletion of vitamin B6. Arthritis Res Ther. 2005;7(6):R1254-62. Epub 2005 Sep 13.

pubmed_id:16277678

[3]:

reference_text:Jensen T, Klarlund M, Hansen M, Jensen KE, Skjodt H, Hyldstrup L: Connective tissue metabolism in patients with unclassified polyarthritis and early rheumatoid arthritis. Relationship to disease activity, bone mineral density, and radiographic outcome. J Rheumatol. 2004 Sep;31(9):1698-708.

pubmed_id:15338487

[4]:

reference_text:Chavis C, Fraissinet L, Chanez P, Thomas E, Bousquet J: A method for the measurement of plasma hydroxyeicosatetraenoic acid levels. Anal Biochem. 1999 Jun 15;271(1):105-8.

pubmed_id:10361015

[5]:

reference_text:Straub RH, Weidler C, Demmel B, Herrmann M, Kees F, Schmidt M, Scholmerich J, Schedel J: Renal clearance and daily excretion of cortisol and adrenal androgens in patients with rheumatoid arthritis and systemic lupus erythematosus. Ann Rheum Dis. 2004 Aug;63(8):961-8.

pubmed_id:15249323

[6]:

reference_text:Tie-juan ShaoZhi-xing HeZhi-jun XieHai-chang LiMei-jiao WangCheng-ping Wen. Characterization of ankylosing spondylitis and rheumatoid arthritis using 1H NMR-based metabolomics of human fecal extracts. Metabolomics. April 2016, 12:70: https://link.springer.com/article/10.1007/s11306-016-1000-2

13:

name:Enteritis

omim_id:

[1]:

reference_text:Probert CS, Jones PR, Ratcliffe NM: A novel method for rapidly diagnosing the causes of diarrhoea. Gut. 2004 Jan;53(1):58-61.

pubmed_id:14684577

14:

name:AIDS

omim_id:

[1]:

reference_text:Stein TP, Koerner B, Schluter MD, Leskiw MJ, Gaprindachvilli T, Richards EW, Cope FO, Condolucci D: Weight loss, the gut and the inflammatory response in aids patients. Cytokine. 1997 Feb;9(2):143-7.

pubmed_id:9071566

[2]:

reference_text:Surtees R, Hyland K, Smith I: Central-nervous-system methyl-group metabolism in children with neurological complications of HIV infection. Lancet. 1990 Mar 17;335(8690):619-21.

pubmed_id:1969014

[3]:

reference_text:Naisbitt DJ, Vilar FJ, Stalford AC, Wilkins EG, Pirmohamed M, Park BK: Plasma cysteine deficiency and decreased reduction of nitrososulfamethoxazole with HIV infection. AIDS Res Hum Retroviruses. 2000 Dec 10;16(18):1929-38.

pubmed_id:11153075

[4]:

reference_text:Megson GM, Stevens DA, Hamilton JR, Denning DW: D-mannitol in cerebrospinal fluid of patients with AIDS and cryptococcal meningitis. J Clin Microbiol. 1996 Jan;34(1):218-21.

pubmed_id:8748311

[5]:

reference_text:Heyes MP, Saito K, Lackner A, Wiley CA, Achim CL, Markey SP: Sources of the neurotoxin quinolinic acid in the brain of HIV-1-infected patients and retrovirus-infected macaques. FASEB J. 1998 Jul;12(10):881-96.

pubmed_id:9657528

[6]:

reference_text:Ellaurie M, Calvelli T, Rubinstein A: Neopterin concentrations in pediatric human immunodeficiency virus infection as predictor of disease activity. Pediatr Infect Dis J. 1992 Apr;11(4):286-9.

pubmed_id:1565552

[7]:

pubmed_id:11418788

[8]:

reference_text:Froldi M, Castagna A, Parma M, Piona A, Tedeschi A, Miadonna A, Lorini M, Orazio EN, Lazzarin A: Mediator release in cerebrospinal fluid of human immunodeficiency virus-positive patients with central nervous system involvement. J Neuroimmunol. 1992 May;38(1-2):155-61.

pubmed_id:1315794

15:

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号

C00246

DrugBank数据库编号

DB03568

foodb数据库编号

FDB031031

ChemSpider数据库编号

259

公共化学化合物编号

264

PDB数据库编号

生物利益的化学实体数据库编号

30772

knapsack数据库编号

C00001180

维基百科编号

Butyric_acid

代谢途径的数据库编号

BUTYRIC_ACID

苯酚资源管理器化合物数据库编号

比格数据库编号

34376

梅林编号

107

虚拟机身份证编号

BUT

fbonto数据库编号

综合参考

Shan, Zhiping. Preparation of butyric acid by hydrogenation of maleic anhydride. U.S. Pat. Appl. Publ. (2008), 6pp.

一般参考

protein_accession:HMDBP00483

name:UDP-glucuronosyltransferase 1-1

uniprot_id:P22309

gene_name:UGT1A1

protein_type:Enzyme

protein_accession:HMDBP00525

name:Cholinesterase

uniprot_id:P06276

gene_name:BCHE

protein_type:Enzyme

protein_accession:HMDBP01111

name:Monocarboxylate transporter 1

uniprot_id:P53985

gene_name:SLC16A1

protein_type:Transporter

protein_accession:HMDBP02070

name:Tumor necrosis factor

uniprot_id:P01375

gene_name:TNF

protein_type:Enzyme

protein_accession:HMDBP02173

name:Peroxisome proliferator-activated receptor gamma

uniprot_id:P37231

gene_name:PPARG

protein_type:Enzyme

protein_accession:HMDBP02195

name:Histone deacetylase 4

uniprot_id:P56524

gene_name:HDAC4

protein_type:Enzyme

protein_accession:HMDBP02256

name:Histone deacetylase 9

uniprot_id:Q9UKV0

gene_name:HDAC9

protein_type:Enzyme

protein_accession:HMDBP04188

name:Acyl-coenzyme A synthetase ACSM1, mitochondrial

uniprot_id:Q08AH1

gene_name:ACSM1

protein_type:Unknown

protein_accession:HMDBP08299

name:Acyl-coenzyme A synthetase ACSM6, mitochondrial

uniprot_id:Q6P461

gene_name:ACSM6

protein_type:Unknown

10:

protein_accession:HMDBP08699

name:Acyl-coenzyme A synthetase ACSM2A, mitochondrial

uniprot_id:Q08AH3

gene_name:ACSM2A

protein_type:Unknown

11:

protein_accession:HMDBP08700

name:Acyl-coenzyme A synthetase ACSM2B, mitochondrial

uniprot_id:Q68CK6

gene_name:ACSM2B

protein_type:Unknown

12:

protein_accession:HMDBP08701

name:Acyl-coenzyme A synthetase ACSM3, mitochondrial

uniprot_id:Q53FZ2

gene_name:ACSM3

protein_type:Unknown

13:

protein_accession:HMDBP08702

name:Acyl-coenzyme A synthetase ACSM5, mitochondrial

uniprot_id:Q6NUN0

gene_name:ACSM5

protein_type:Unknown

14:

protein_accession:HMDBP09107

name:Histone deacetylase 2

uniprot_id:Q92769

gene_name:HDAC2

protein_type:Unknown

15:

protein_accession:HMDBP09108

name:Histone deacetylase 3

uniprot_id:O15379

gene_name:HDAC3

protein_type:Unknown

16:

protein_accession:HMDBP09109

name:Histone deacetylase 5

uniprot_id:Q9UQL6

gene_name:HDAC5

protein_type:Unknown

17:

protein_accession:HMDBP09123

name:Acyl-coenzyme A synthetase ACSM4, mitochondrial

uniprot_id:P0C7M7

gene_name:ACSM4

protein_type:Unknown

蛋白质结合

reference_text:McMillan L, Butcher SK, Pongracz J, Lord JM: Opposing effects of butyrate and bile acids on apoptosis of human colon adenoma cells: differential activation of PKC and MAP kinases. Br J Cancer. 2003 Mar 10;88(5):748-53.

pubmed_id:12618885

reference_text:Bauer G: Induction of Epstein-Barr virus early antigens by corticosteroids: inhibition by TPA and retinoic acid. Int J Cancer. 1983 Mar 15;31(3):291-5.

pubmed_id:6826253

reference_text:Silwood CJ, Lynch E, Claxson AW, Grootveld MC: 1H and (13)C NMR spectroscopic analysis of human saliva. J Dent Res. 2002 Jun;81(6):422-7.

pubmed_id:12097436

reference_text:McIntosh GH, Noakes M, Royle PJ, Foster PR: Whole-grain rye and wheat foods and markers of bowel health in overweight middle-aged men. Am J Clin Nutr. 2003 Apr;77(4):967-74.

pubmed_id:12663299

reference_text:Schwiertz A, Lehmann U, Jacobasch G, Blaut M: Influence of resistant starch on the SCFA production and cell counts of butyrate-producing Eubacterium spp. in the human intestine. J Appl Microbiol. 2002;93(1):157-62.

pubmed_id:12067385

reference_text:Bauer G, Hofler P, Simon M: Epstein-Barr virus induction by a serum factor. Characterization of the purified factor and the mechanism of its activation. J Biol Chem. 1982 Oct 10;257(19):11411-5.

pubmed_id:6288683

reference_text:Jin SE, Ban E, Kim YB, Kim CK: Development of HPLC method for the determination of levosulpiride in human plasma. J Pharm Biomed Anal. 2004 Jun 29;35(4):929-36.

pubmed_id:15193738

reference_text:Welters CF, Heineman E, Thunnissen FB, van den Bogaard AE, Soeters PB, Baeten CG: Effect of dietary inulin supplementation on inflammation of pouch mucosa in patients with an ileal pouch-anal anastomosis. Dis Colon Rectum. 2002 May;45(5):621-7.

pubmed_id:12004211

reference_text:Kurita-Ochiai T, Seto S, Ochiai K: Role of cell-cell communication in inhibiting butyric acid-induced T-cell apoptosis. Infect Immun. 2004 Oct;72(10):5947-54.

pubmed_id:15385498

10:

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reference_text:The lipid handbook with CD-ROM

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