版本
5.0
创建日期
2005-11-16 15:48:42 UTC
更新日期
2021-09-07 16:24:00 UTC
登录号
HMDB0000042
地位
quantified
二级访问
HMDB00042

名称
Acetic acid
描述
Acetic acid is a two-carbon, straight-chain fatty acid. It is the smallest short-chain fatty acid (SCFA) and one of the simplest carboxylic acids. is an acidic, colourless liquid and is the main component in vinegar. Acetic acid has a sour taste and pungent smell. It is an important chemical reagent and industrial chemical that is used in the production of plastic soft drink bottles, photographic film; and polyvinyl acetate for wood glue, as well as many synthetic fibres and fabrics. In households diluted acetic acid is often used as a cleaning agent. In the food industry acetic acid is used as an acidity regulator. Acetic acid is found in all organisms, from bacteria to plants to humans. The acetyl group, derived from acetic acid, is fundamental to the biochemistry of virtually all forms of life. When bound to coenzyme A (to form acetylCoA) it is central to the metabolism of carbohydrates and fats. However, the concentration of free acetic acid in cells is kept at a low level to avoid disrupting the control of the pH of the cell contents. Acetic acid is produced and excreted in large amounts by certain acetic acid bacteria, notably the Acetobacter genus and Clostridium acetobutylicum. These bacteria are found universally in foodstuffs, water, and soil. Due to their widespread presence on fruit, acetic acid is produced naturally as fruits and many other sugar-rich foods spoil. Several species of anaerobic bacteria, including members of the genus Clostridium and Acetobacterium can convert sugars to acetic acid directly. However, Clostridium bacteria are less acid-tolerant than Acetobacter. Even the most acid-tolerant Clostridium strains can produce acetic acid in concentrations of only a few per cent, compared to Acetobacter strains that can produce acetic acid in concentrations up to 20%. Acetic acid is also a component of the vaginal lubrication of humans and other primates, where it appears to serve as a mild antibacterial agent. Acetic acid can be found in other biofluids such as urine at low concentrations. Urinary acetic acid is produced by bacteria such as Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumonia, Enterobacter, Acinetobacter, Proteus mirabilis, Citrobacter frundii, Enterococcus faecalis, Streptococcus group B, Staphylococcus saprophyticus (PMID: 22292465). Acetic acid concentrations greater than 30 uM/mM creatinine in the urine can indicate a urinary tract infection, which typically suggests the presence of E. coli or Klebshiella pneumonia in the urinary tract. (PMID: 24909875) Acetic acid is also produced by other bacteria such as Akkermansia, Bacteroidetes, Bifidobacterium, Prevotella and Ruminococcus (PMID: 20444704; PMID: 22292465).
同义词
1:Acide acetique

2:AcOH

3:CH3-COOH

4:CH3CO2H

5:e 260

6:e-260

7:e260

8:Essigsaeure

9:Ethanoic acid

10:Ethoic acid

11:Ethylic acid

12:HOAc

13:INS no. 260

14:MeCO2h

15:MeCOOH

16:Methanecarboxylic acid

17:Glacial acetic acid

18:Acetasol

19:Ethanoate

20:Ethoate

21:Ethylate

22:Methanecarboxylate

23:Glacial acetate

24:Acetate

25:Kyselina octova

26:Vinegar

27:Vinegar acid

28:Acid, acetic

29:Acetic acid glacial

30:Acid glacial, acetic

31:Acid, glacial acetic

32:Acetic acid, glacial

33:Glacial, acetic acid

化学式
C2H4O2
平均分子量
60.052
等位分子量
60.021129372
化学名称
acetic acid
传统名称
acetic acid
CAS 登记号
64-19-7
代谢物结构字符串
CC(O)=O
inchi标识符
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
印记键
QTBSBXVTEAMEQO-UHFFFAOYSA-N
分类学
description: belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.

description:Carboxylic acids

kingdom:Organic compounds

super_class:Organic acids and derivatives

class:Carboxylic acids and derivatives

sub_class:Carboxylic acids

molecular_framework:Aliphatic acyclic compounds

1:Carbonyl compounds

2:Hydrocarbon derivatives

3:Monocarboxylic acids and derivatives

4:Organic oxides

5:Aliphatic acyclic compound

6:Carbonyl group

7:Carboxylic acid

8:Hydrocarbon derivative

9:Monocarboxylic acid or derivatives

10:Organic oxide

11:Organic oxygen compound

12:Organooxygen compound

13:Saturated fatty acids

14:Straight chain fatty acids

15:Straight chain fatty acids

16:monocarboxylic 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:Organoleptic effect

definition:Human sensual perception of chemical stimuli.

parent_id:7693

*level:2

type:parent

term:Odor

definition:Sensual perception of volatile chemicals reacting with the human olfactory system.

parent_id:7719

**level:3

type:parent

term:Plastic

definition:

parent_id:7720

***level:4

type:child

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: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:Multiple sclerosis

definition:A demyelinating disease that involves damage to the fatty myelin sheaths around the axons of the brain and spinal cord resulting in demyelination and scarring. (do).

parent_id:7695

***level:4

type:child

synonym:Encephalomyelitis disseminata

synonym:Disseminated sclerosis

synonym:Ms

term:Cancer

definition:A group of disorders characterized by the presense of malignant neoplasm.

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:Parenteral

definition:Chemical exposure via the a route other than the alimentary canal.

parent_id:7743

**level:3

type:parent

term:Vaginal

definition:Chemical exposure by contact with the walls of the vagina.

parent_id:7745

***level:4

type:child

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:Synthetic

definition:A man-made product or sample in which a chemical can be found.

parent_id:7735

**level:3

type:parent

term:Personal care product

definition:

parent_id:7742

***level:4

type:child

synonym:Pcp

synonym:Toiletries

synonym:Toiletry

synonym:Personal hygiene

synonym:Beautification product

term:Environmental

definition:An environmentally-sourced sample in which a chemical can be found.

parent_id:7735

**level:3

type:parent

term:Tobacco smoke

definition:

parent_id:7741

***level:4

type:child

term:Soil

definition:A mix of matter covering the surface of the earth. Its solids consist of minerals and organis matter, and voids between matter grains consist of water and gas.

parent_id:7741

***level:4

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: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:Liver

definition:An abdominal organ that has variable lobation which are composed mainly of hepatic lobules. (nci).

parent_id:7727

***level:4

type:child

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:Mitochondria

definition:

parent_id:7730

***level:4

type:child

term:Golgi

definition:A compound membranous cytoplasmic organelle of eukaryotic cells, consisting of flattened, ribosome-free vesicles arranged in a more or less regular stack. Note that the Golgi apparatus can be located in various places in the cytoplasm.

parent_id:7730

***level:4

type:child

synonym:Golgi apparatus

synonym:Golgi complex

synonym:Golgi ribbon

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: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 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:Personal care products

definition:Cosmetics and personal hygene products in which a chemical was incorportaed during the manufacturing process.

parent_id:7678

**level:3

type:child

term:Cleaner

definition:A chemical substance that removes soil or impurities from a surface.

parent_id:7678

**level:3

type:child

term:Solvent

definition:Substance employed to dissolve and maintain in homogenous solution other ingredients in consumer products, and/or to allow the product to solubilize soils on surfaces and facilitate removal.

parent_id:7678

**level:3

type:child

term:Food and nutrition

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

parent_id:7678

**level:3

type:parent

term:Acidity regulator

definition:A chemical substance used to alter or stabilize the hydrogen ion concentration (ph): acids, alkalis, buffers.

parent_id:7687

***level:4

type:child

synonym:Ph regulator

term:Household products

definition:A product used in the home environment, which includes a chemical substance.

parent_id:7678

**level:3

type:parent

term:Antimicrobial agent

definition:A chemical substance used to destroy or control uwanted microorganisms such as fungi, bacteria and algae.

parent_id:7690

***level:4

type:parent

synonym:Anti microbial

synonym:Anti-microbial

synonym:Anti-microbial agent

synonym:Antimicrobial agent

synonym:Biocide

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:Drug metabolite

definition:

parent_id:7672

**level:3

type:child

term:Waste product

definition:A chemical that is generated in a metabolic process and is destined to be excreted from the body. It commonly consists of water, nitrogenous compounds or carbon dioxide and can be a metabolic byproduct or a degradation product (such as urobilin metabolised from bilirubin which is a degradation product of hemoglobin).

parent_id:7672

**level:3

type:child

term:Metabolite

definition:A chemical substance produced during metabolism process, as an intermediate or end-product.

parent_id:7672

**level:3

type:child

状态
Liquid
实验性质
1:

kind:water_solubility

value:1000.0 mg/mL

source:

2:

kind:logp

value:-0.17

source:HANSCH,C ET AL. (1995)

3:

kind:melting_point

value:16.6 °C

source:

预测性质
1:

kind:logp

value:-0.12

source:ALOGPS

2:

kind:logs

value:0.73

source:ALOGPS

3:

kind:solubility

value:323 g/L

source:ALOGPS

4:

kind:logp

value:-0.22

source:ChemAxon

5:

kind:pka_strongest_acidic

value:4.54

source:ChemAxon

6:

kind:iupac

value:acetic acid

source:ChemAxon

7:

kind:average_mass

value:60.052

source:ChemAxon

8:

kind:mono_mass

value:60.021129372

source:ChemAxon

9:

kind:smiles

value:CC(O)=O

source:ChemAxon

10:

kind:formula

value:C2H4O2

source:ChemAxon

11:

kind:inchi

value:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

source:ChemAxon

12:

kind:inchikey

value:QTBSBXVTEAMEQO-UHFFFAOYSA-N

source:ChemAxon

13:

kind:polar_surface_area

value:37.3

source:ChemAxon

14:

kind:refractivity

value:12.64

source:ChemAxon

15:

kind:polarizability

value:5.34

source:ChemAxon

16:

kind:rotatable_bond_count

value:0

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

光谱
生物学性质
1:

cellular:(1):Cytoplasm

cellular:(2):Extracellular

cellular:(3):Golgi apparatus

cellular:(4):Mitochondria

2:

biospecimen:(1):Blood

biospecimen:(2):Breast Milk

biospecimen:(3):Breath

biospecimen:(4):Cerebrospinal Fluid (CSF)

biospecimen:(5):Feces

biospecimen:(6):Saliva

biospecimen:(7):Urine

3:

tissue:(1):Kidney

tissue:(2):Liver

4:

[1]:

name:Amino Sugar Metabolism

smpdb_id:SMP00045

kegg_map_id:map00520

[2]:

name:Aspartate Metabolism

smpdb_id:SMP00067

kegg_map_id:map00250

[3]:

name:Canavan Disease

smpdb_id:SMP00175

kegg_map_id:

[4]:

name:Disulfiram Action Pathway

smpdb_id:SMP00429

kegg_map_id:

[5]:

name:Ethanol Degradation

smpdb_id:SMP00449

kegg_map_id:

[6]:

name:Fatty Acid Biosynthesis

smpdb_id:SMP00456

kegg_map_id:

[7]:

name:G(M2)-Gangliosidosis: Variant B, Tay-sachs disease

smpdb_id:SMP00534

kegg_map_id:

[8]:

name:Heroin Action Pathway

smpdb_id:SMP00407

kegg_map_id:

[9]:

name:Heroin Metabolism Pathway

smpdb_id:SMP00623

kegg_map_id:

[10]:

name:Hypoacetylaspartia

smpdb_id:SMP00192

kegg_map_id:

[11]:

name:Leigh Syndrome

smpdb_id:SMP00196

kegg_map_id:

[12]:

name:Primary hyperoxaluria II, PH2

smpdb_id:SMP00558

kegg_map_id:

[13]:

name:Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency)

smpdb_id:SMP00334

kegg_map_id:

[14]:

name:Pyruvate Dehydrogenase Complex Deficiency

smpdb_id:SMP00212

kegg_map_id:

[15]:

name:Pyruvate kinase deficiency

smpdb_id:SMP00559

kegg_map_id:

[16]:

name:Pyruvate metabolism

smpdb_id:

kegg_map_id:map00620

[17]:

name:Salla Disease/Infantile Sialic Acid Storage Disease

smpdb_id:SMP00240

kegg_map_id:

[18]:

name:Sialuria or French Type Sialuria

smpdb_id:SMP00216

kegg_map_id:

[19]:

name:Tay-Sachs Disease

smpdb_id:SMP00390

kegg_map_id:

正常浓度
1:

biospecimen:Blood

concentration_value:30.4 (22.0-40.0)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

2:

biospecimen:Blood

concentration_value:69.14(30.49)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

3:

biospecimen:Blood

concentration_value:26.8-64.2

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

4:

biospecimen:Blood

concentration_value:41.9 +/- 15.1

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

5:

biospecimen:Breast Milk

concentration_value:27.5 +/- 28.2

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

6:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:116.0 +/- 55.0

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

7:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:58.0 +/- 27.0

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

8:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:100.0 +/- 30.0

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

9:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:284.0 +/- 126.0

concentration_units:uM

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

11:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

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:Infant (0-1 year 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:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

20:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

21:

biospecimen:Feces

concentration_value:37400 (12800-103400)

concentration_units:nmol/g wet feces

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:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

24:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

25:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

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:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

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:35860 +/- 16800

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Female

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:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

32:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years 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:0-3037256.600

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:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

41:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

42:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

43:

biospecimen:Saliva

concentration_value:10200 +/- 10200

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

44:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

45:

biospecimen:Saliva

concentration_value:14640 +/- 13790

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

46:

biospecimen:Saliva

concentration_value:12650 +/- 12830

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

47:

biospecimen:Saliva

concentration_value:11350 +/- 12920

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

48:

biospecimen:Saliva

concentration_value:11220 +/- 10900

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

49:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

50:

biospecimen:Saliva

concentration_value:12350 +/- 14040

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

51:

biospecimen:Saliva

concentration_value:10340 +/- 10640

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

52:

biospecimen:Saliva

concentration_value:6814.91 +/- 4310.71

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

53:

biospecimen:Saliva

concentration_value:433 (19-2749)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:normal

54:

biospecimen:Saliva

concentration_value:112 (5-726)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:normal

55:

biospecimen:Saliva

concentration_value:228 (19-1495)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

56:

biospecimen:Saliva

concentration_value:323 (17-4048)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

57:

biospecimen:Saliva

concentration_value:443 (80-2667)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

58:

biospecimen:Saliva

concentration_value:185 (28-993)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

59:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

60:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

61:

biospecimen:Urine

concentration_value:0.2

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

62:

biospecimen:Urine

concentration_value:13.0 (2.5-106.0)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

63:

biospecimen:Urine

concentration_value:3.31

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

64:

biospecimen:Urine

concentration_value:0.0010 +/- 0.0021

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

65:

biospecimen:Urine

concentration_value:16.064 +/- 11.375

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

66:

biospecimen:Urine

concentration_value:45.33 +/- 53.33

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

67:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

68:

biospecimen:Urine

concentration_value:2.5-106

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

异常浓度
1:

biospecimen:Blood

concentration_value:42.2 +/- 17.3

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Heart Transplant

2:

biospecimen:Blood

concentration_value:28.26 +/- 12.83

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy with fetuses with trisomy 18

3:

biospecimen:Blood

concentration_value:22.9 +/- 31.703

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy

4:

biospecimen:Blood

concentration_value:17.9 (6.0)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Early preeclampsia

5:

biospecimen:Blood

concentration_value:48.4 (50.4)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy

6:

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

7:

biospecimen:Blood

concentration_value:25.69 (7.99)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy with fetus having congenital heart defect

8:

biospecimen:Blood

concentration_value:29.85 (8.26)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy

9:

biospecimen:Blood

concentration_value:80.6 (101.5)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Late-onset preeclampsia

10:

biospecimen:Blood

concentration_value:48.55(36.76)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Heart failure with reduced ejection fraction

11:

biospecimen:Blood

concentration_value:49.1 (52.5)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy

12:

biospecimen:Blood

concentration_value:27.5 (17.6)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Down syndrome pregnancy

13:

biospecimen:Blood

concentration_value:30.1 (22.6)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Pregnancy

14:

biospecimen:Breath

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Asthma

15:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:35.3 - 211.7

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Multiple sclerosis

16:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:autism

17:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Pervasive Developmental Disorder Not Otherwise Specified

18:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

19:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Colorectal cancer

20:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Irritable bowel syndrome

21:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

22:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Newborn (0-30 days old)

patient_sex:Both

patient_information:Sepsis

23:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Intestinal infections

24:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohns disease

25:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

26:

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

27:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - <8 years old)

patient_sex:Female

patient_information:juvenile idiopathic arthritis

28:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

29:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Campylobacter jejuni infection

30:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Clostridium difficile infection

31:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative Colitis

32:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:asymptomatic diverticulosis

33:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:symptomatic uncomplicated diverticular disease

34:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

35:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Irritable Bowel Syndrome

36:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohn’s Disease

37:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative Colitis

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:0-4321921.00180

concentration_units:nmol/g wet feces

patient_age:Children (1-13 years old)

patient_sex:Not Specified

patient_information:Treated celiac disease

40:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohn's disease

41:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Nonalcoholic fatty liver disease (NAFLD)

42:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

43:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Autism

44:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Immunoglobulin A nephropathy (IgAN) non progressor

45:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Immunoglobulin A nephropathy (IgAN) progressor

46:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

47:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

48:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Gout

49:

biospecimen:Urine

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Breast cancer

50:

biospecimen:Urine

concentration_value:53.0 +/- 71.0

concentration_units:umol/mmol creatinine

patient_age:Not Specified

patient_sex:Both

patient_information:Lung cancer

51:

biospecimen:Urine

concentration_value:25.477 +/- 36.046

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

52:

biospecimen:Urine

concentration_value:23.7 +/- 4.5

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:3-Hydroxy-3- methylglutaryl-CoA lyase (HL) deficency

53:

biospecimen:Urine

concentration_value:12.9 +/- 0

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:3-Hydroxy-3- methylglutaryl-CoA lyase (HL) deficency

54:

biospecimen:Urine

concentration_value:54.1 +/- 23.8

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Argininosuccinic aciduria (ASL)

55:

biospecimen:Urine

concentration_value:20.2 +/- 3.9

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Propionic acidemia

56:

biospecimen:Urine

concentration_value:20.8 +/- 3

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Propionic acidemia

57:

biospecimen:Urine

concentration_value:99.4 +/- 8.6

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Tyrosinemia I

58:

biospecimen:Urine

concentration_value:16.3 +/- 7.1

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Phenylketonuria

59:

biospecimen:Urine

concentration_value:375.3 +/- 6.3

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Phenylketonuria

60:

biospecimen:Urine

concentration_value:13.2 +/- 5.5

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Maple syrup urine disease

61:

biospecimen:Urine

concentration_value:21.8 +/- 0

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Aminoaciduria

疾病参考
1:

name:Early preeclampsia

omim_id:

[1]:

reference_text:Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28.

pubmed_id:22494326

2:

name:Pregnancy

omim_id:

[1]:

reference_text:Yang XL, Wu XR: The dynamic changes of several reproductive hormones during termination of early pregnancy by RU486 in combination with PG-05 in Chinese women. Adv Contracept. 1988 Dec;4(4):319-26.

pubmed_id:3252730

[2]:

reference_text:Ball P, Emons G, Haupt O, Hoppen HO, Knuppen R: Radioimmunoassay of 2-hydroxyestrone. Steroids. 1978 Feb;31(2):249-58.

pubmed_id:663967

[3]:

reference_text:Yang YJ, Lee J, Choi MH, Chung BC: Direct determination of estriol 3- and 16-glucuronides in pregnancy urine by column-switching liquid chromatography with electrospray tandem mass spectrometry. Biomed Chromatogr. 2003 Jun;17(4):219-25.

pubmed_id:12833386

[4]:

reference_text:Andreolini F, Borra C, Caccamo F, Di Corcia A, Nicoletti I, Samperi R, Improta F: Estriol and its conjugates in late pregnancy determined by extraction with Carbopack B and liquid chromatography with fluorometric detection. Clin Chem. 1985 Oct;31(10):1698-702.

pubmed_id:2994907

[5]:

reference_text:Huang PC, Kuo PL, Guo YL, Liao PC, Lee CC: Associations between urinary phthalate monoesters and thyroid hormones in pregnant women. Hum Reprod. 2007 Oct;22(10):2715-22. Epub 2007 Aug 17.

pubmed_id:17704099

[6]:

reference_text:Ribar S, Mesaric M, Sedic M: Sphingoid bases as possible diagnostic parameters. Croat Med J. 2003 Apr;44(2):165-70.

pubmed_id:12698507

[7]:

reference_text:Khan HA, Sobki SH, Alhomida AS: Fluctuations in fasting blood glucose and serum fructosamine in pregnant women monitored on successive antenatal visits. Clin Exp Med. 2006 Oct;6(3):134-7.

pubmed_id:17061063

[8]:

reference_text:Mikkelsen TB, Osler M, Olsen SF: Validity of protein, retinol, folic acid and n-3 fatty acid intakes estimated from the food-frequency questionnaire used in the Danish National Birth Cohort. Public Health Nutr. 2006 Sep;9(6):771-8.

pubmed_id:16925883

[9]:

reference_text:Shiraishi M, Haruna M, Matsuzaki M, Murayama R, Sasaki S, Murashima S: Validity and reproducibility of folate and vitamin B(12) intakes estimated from a self-administered diet history questionnaire in Japanese pregnant women. Nutr J. 2012 Mar 15;11:15. doi: 10.1186/1475-2891-11-15.

pubmed_id:22420377

[10]:

reference_text:Brantsaeter AL, Haugen M, Julshamn K, Alexander J, Meltzer HM: Evaluation of urinary iodine excretion as a biomarker for intake of milk and dairy products in pregnant women in the Norwegian Mother and Child Cohort Study (MoBa). Eur J Clin Nutr. 2009 Mar;63(3):347-54. Epub 2007 Dec 5.

pubmed_id:18059417

[11]:

reference_text:Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28.

pubmed_id:22494326

[12]:

reference_text:Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13.

pubmed_id:23159745

[13]:

reference_text:Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester Down syndrome prediction. Am J Obstet Gynecol. 2013 May;208(5):371.e1-8. doi: 10.1016/j.ajog.2012.12.035. Epub 2013 Jan 8.

pubmed_id:23313728

[14]:

reference_text:Bahado-Singh RO, Akolekar R, Chelliah A, Mandal R, Dong E, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester trisomy 18 detection. Am J Obstet Gynecol. 2013 Jul;209(1):65.e1-9. doi: 10.1016/j.ajog.2013.03.028. Epub 2013 Mar 25.

pubmed_id:23535240

[15]:

reference_text:Bahado-Singh RO, Ertl R, Mandal R, Bjorndahl TC, Syngelaki A, Han B, Dong E, Liu PB, Alpay-Savasan Z, Wishart DS, Nicolaides KH: Metabolomic prediction of fetal congenital heart defect in the first trimester. Am J Obstet Gynecol. 2014 Sep;211(3):240.e1-240.e14. doi: 10.1016/j.ajog.2014.03.056. Epub 2014 Apr 1.

pubmed_id:24704061

[16]:

reference_text:The Merck Manual, 17th ed. Mark H. Beers, MD, Robert Berkow, MD, eds. Whitehouse Station, NJ: Merck Research Labs, 1999.

pubmed_id:

3:

name:Late-onset preeclampsia

omim_id:

[1]:

reference_text:Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13.

pubmed_id:23159745

4:

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.

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12:

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name:Pervasive developmental disorder not otherwise specified

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14:

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15:

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22:

name:Tyrosinemia I

omim_id:276700

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23:

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name:Maple syrup urine disease

omim_id:248600

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25:

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号
C00033
DrugBank数据库编号
DB03166
foodb数据库编号
FDB019725
ChemSpider数据库编号
171
公共化学化合物编号
176
PDB数据库编号
生物利益的化学实体数据库编号
15366
knapsack数据库编号
C00001176
维基百科编号
Acetic_acid
代谢途径的数据库编号
ACET
苯酚资源管理器化合物数据库编号
比格数据库编号
33590
梅林编号
3206
虚拟机身份证编号
AC
fbonto数据库编号
综合参考
Law, David John. Process for the preparation of carboxylic acids and/or derivatives thereof. PCT Int. Appl. (2007), 14pp.
一般参考
1:

protein_accession:HMDBP00009

name:Hydroxymethylglutaryl-CoA lyase, mitochondrial

uniprot_id:P35914

gene_name:HMGCL

protein_type:Enzyme

2:

protein_accession:HMDBP00024

name:Acyl-coenzyme A thioesterase 12

uniprot_id:Q8WYK0

gene_name:ACOT12

protein_type:Enzyme

3:

protein_accession:HMDBP00037

name:Acetyl-coenzyme A synthetase, cytoplasmic

uniprot_id:Q9NR19

gene_name:ACSS2

protein_type:Enzyme

4:

protein_accession:HMDBP00042

name:Acetyl-coenzyme A synthetase 2-like, mitochondrial

uniprot_id:Q9NUB1

gene_name:ACSS1

protein_type:Enzyme

5:

protein_accession:HMDBP00089

name:Serum paraoxonase/lactonase 3

uniprot_id:Q15166

gene_name:PON3

protein_type:Enzyme

6:

protein_accession:HMDBP00091

name:Serum paraoxonase/arylesterase 1

uniprot_id:P27169

gene_name:PON1

protein_type:Enzyme

7:

protein_accession:HMDBP00092

name:Serum paraoxonase/arylesterase 2

uniprot_id:Q15165

gene_name:PON2

protein_type:Enzyme

8:

protein_accession:HMDBP00291

name:4-trimethylaminobutyraldehyde dehydrogenase

uniprot_id:P49189

gene_name:ALDH9A1

protein_type:Unknown

9:

protein_accession:HMDBP00292

name:Aldehyde dehydrogenase, dimeric NADP-preferring

uniprot_id:P30838

gene_name:ALDH3A1

protein_type:Unknown

10:

protein_accession:HMDBP00293

name:Alpha-aminoadipic semialdehyde dehydrogenase

uniprot_id:P49419

gene_name:ALDH7A1

protein_type:Unknown

11:

protein_accession:HMDBP00294

name:Aldehyde dehydrogenase family 1 member A3

uniprot_id:P47895

gene_name:ALDH1A3

protein_type:Unknown

12:

protein_accession:HMDBP00295

name:Aldehyde dehydrogenase, mitochondrial

uniprot_id:P05091

gene_name:ALDH2

protein_type:Unknown

13:

protein_accession:HMDBP00296

name:Fatty aldehyde dehydrogenase

uniprot_id:P51648

gene_name:ALDH3A2

protein_type:Unknown

14:

protein_accession:HMDBP00297

name:Aldehyde dehydrogenase X, mitochondrial

uniprot_id:P30837

gene_name:ALDH1B1

protein_type:Unknown

15:

protein_accession:HMDBP00483

name:UDP-glucuronosyltransferase 1-1

uniprot_id:P22309

gene_name:UGT1A1

protein_type:Enzyme

16:

protein_accession:HMDBP00497

name:Liver carboxylesterase 1

uniprot_id:P23141

gene_name:CES1

protein_type:Enzyme

17:

protein_accession:HMDBP00498

name:Cocaine esterase

uniprot_id:O00748

gene_name:CES2

protein_type:Enzyme

18:

protein_accession:HMDBP00501

name:S-formylglutathione hydrolase

uniprot_id:P10768

gene_name:ESD

protein_type:Enzyme

19:

protein_accession:HMDBP00523

name:Platelet-activating factor acetylhydrolase

uniprot_id:Q13093

gene_name:PLA2G7

protein_type:Enzyme

20:

protein_accession:HMDBP00524

name:Acetylcholinesterase

uniprot_id:P22303

gene_name:ACHE

protein_type:Enzyme

21:

protein_accession:HMDBP00528

name:Platelet-activating factor acetylhydrolase IB subunit gamma

uniprot_id:Q15102

gene_name:PAFAH1B3

protein_type:Enzyme

22:

protein_accession:HMDBP00530

name:Platelet-activating factor acetylhydrolase IB subunit beta

uniprot_id:P68402

gene_name:PAFAH1B2

protein_type:Enzyme

23:

protein_accession:HMDBP00534

name:Platelet-activating factor acetylhydrolase 2, cytoplasmic

uniprot_id:Q99487

gene_name:PAFAH2

protein_type:Enzyme

24:

protein_accession:HMDBP00535

name:Sialate O-acetylesterase

uniprot_id:Q9HAT2

gene_name:SIAE

protein_type:Enzyme

25:

protein_accession:HMDBP00541

name:Aldehyde dehydrogenase family 3 member B2

uniprot_id:P48448

gene_name:ALDH3B2

protein_type:Unknown

26:

protein_accession:HMDBP00542

name:Aldehyde dehydrogenase family 3 member B1

uniprot_id:P43353

gene_name:ALDH3B1

protein_type:Unknown

27:

protein_accession:HMDBP00552

name:Acylphosphatase-2

uniprot_id:P14621

gene_name:ACYP2

protein_type:Enzyme

28:

protein_accession:HMDBP00553

name:Acylphosphatase-1

uniprot_id:P07311

gene_name:ACYP1

protein_type:Enzyme

29:

protein_accession:HMDBP00554

name:Aminoacylase-1

uniprot_id:Q03154

gene_name:ACY1

protein_type:Unknown

30:

protein_accession:HMDBP00555

name:Aspartoacylase

uniprot_id:P45381

gene_name:ASPA

protein_type:Enzyme

31:

protein_accession:HMDBP00556

name:Platelet-activating factor acetylhydrolase IB subunit alpha

uniprot_id:P43034

gene_name:PAFAH1B1

protein_type:Unknown

32:

protein_accession:HMDBP00557

name:N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase

uniprot_id:Q9Y2B2

gene_name:PIGL

protein_type:Enzyme

33:

protein_accession:HMDBP00558

name:Aspartoacylase-2

uniprot_id:Q96HD9

gene_name:ACY3

protein_type:Enzyme

34:

protein_accession:HMDBP01043

name:Steroid 17-alpha-hydroxylase/17,20 lyase

uniprot_id:P05093

gene_name:CYP17A1

protein_type:Unknown

35:

protein_accession:HMDBP01111

name:Monocarboxylate transporter 1

uniprot_id:P53985

gene_name:SLC16A1

protein_type:Transporter

36:

protein_accession:HMDBP02021

name:Solute carrier organic anion transporter family member 2B1

uniprot_id:O94956

gene_name:SLCO2B1

protein_type:Transporter

37:

protein_accession:HMDBP03692

name:Putative N-acetylglucosamine-6-phosphate deacetylase

uniprot_id:Q9Y303

gene_name:AMDHD2

protein_type:Enzyme

38:

protein_accession:HMDBP06047

name:Citrate lyase subunit beta-like protein, mitochondrial

uniprot_id:Q8N0X4

gene_name:CLYBL

protein_type:Unknown

39:

protein_accession:HMDBP07300

name:60 kDa lysophospholipase

uniprot_id:Q86U10

gene_name:ASPG

protein_type:Enzyme

40:

protein_accession:HMDBP07406

name:ACSS2 protein

uniprot_id:Q96FY7

gene_name:ACSS2

protein_type:Enzyme

41:

protein_accession:HMDBP11602

name:Acyl-CoA synthetase short-chain family member 3, mitochondrial

uniprot_id:Q9H6R3

gene_name:ACSS3

protein_type:Unknown

蛋白质结合
1:

reference_text:Nicholson JK, Foxall PJ, Spraul M, Farrant RD, Lindon JC: 750 MHz 1H and 1H-13C NMR spectroscopy of human blood plasma. Anal Chem. 1995 Mar 1;67(5):793-811.

pubmed_id:7762816

2:

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

3:

reference_text:Muniz-Junqueira MI, Braga Lopes C, Magalhaes CA, Schleicher CC, Veiga JP: Acute and chronic influence of hemodialysis according to the membrane used on phagocytic function of neutrophils and monocytes and pro-inflammatory cytokines production in chronic renal failure patients. Life Sci. 2005 Nov 4;77(25):3141-55. Epub 2005 Jul 11.

pubmed_id:16005905

4:

reference_text:Sugawara G, Nagino M, Nishio H, Ebata T, Takagi K, Asahara T, Nomoto K, Nimura Y: Perioperative synbiotic treatment to prevent postoperative infectious complications in biliary cancer surgery: a randomized controlled trial. Ann Surg. 2006 Nov;244(5):706-14.

pubmed_id:17060763

5:

reference_text:Camoutsis C, Trafalis D, Pairas G, Papageorgiou A: On the formation of 4-[N,N-bis(2-chloroethyl)amino]phenyl acetic acid esters of hecogenin and aza-homo-hecogenin and their antileukemic activity. Farmaco. 2005 Oct;60(10):826-9. Epub 2005 Aug 31.

pubmed_id:16139280

6:

reference_text:Subramanian A, Gupta A, Saxena S, Gupta A, Kumar R, Nigam A, Kumar R, Mandal SK, Roy R: Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25.

pubmed_id:15627241

7:

reference_text:Li M, Pan XL, Wang LL, Feng Y, Huang N, Wu Q, Li X, Wang BY: [Study of antmicrobial mechanisms of human cervical mucus: isolation and characterization of antibacterial polypeptides]. Zhonghua Yi Xue Za Zhi. 2005 Apr 27;85(16):1109-12.

pubmed_id:16029568

8:

reference_text:Vaca G, Hernandez A, Ibarra B, Velazquez A, Olivares N, Sanchez-Corona J, Medina C, Cantu JM: Detection of inborn errors of metabolism in 1,117 patients studied because of suspected inherited disease. Arch Invest Med (Mex). 1981;12(3):341-8.

pubmed_id:7294941

9:

reference_text:Commodari F, Arnold DL, Sanctuary BC, Shoubridge EA: 1H NMR characterization of normal human cerebrospinal fluid and the detection of methylmalonic acid in a vitamin B12 deficient patient. NMR Biomed. 1991 Aug;4(4):192-200.

pubmed_id:1931558

10:

reference_text:Yagi K, Nakamura A, Sekine A: [Magnification endoscopy diagnosis of Barrett's esophagus with methylene blue and acetic acid]. Nihon Rinsho. 2005 Aug;63(8):1411-5.

pubmed_id:16101231

11:

reference_text:Fan DD, Luo Y, Mi Y, Ma XX, Shang L: Characteristics of fed-batch cultures of recombinant Escherichia coli containing human-like collagen cDNA at different specific growth rates. Biotechnol Lett. 2005 Jun;27(12):865-70.

pubmed_id:16086249

12:

reference_text:Syrjanen K, Naud P, Derchain S, Roteli-Martins C, Longatto-Filho A, Tatti S, Branca M, Erzen M, Hammes LS, Matos J, Gontijo R, Sarian L, Braganca J, Arlindo FC, Maeda MY, Lorincz A, Dores GB, Costa S, Syrjanen S: Comparing PAP smear cytology, aided visual inspection, screening colposcopy, cervicography and HPV testing as optional screening tools in Latin America. Study design and baseline data of the LAMS study. Anticancer Res. 2005 Sep-Oct;25(5):3469-80.

pubmed_id:16101165

13:

reference_text:Yri OE, Bjoro T, Fossa SD: Failure to achieve castration levels in patients using leuprolide acetate in locally advanced prostate cancer. Eur Urol. 2006 Jan;49(1):54-8; discussion 58. Epub 2005 Nov 15.

pubmed_id:16314038

14:

reference_text:Gupta A, Dwivedi M, Mahdi AA, Khetrapal CL, Bhandari M: Broad identification of bacterial type in urinary tract infection using (1)h NMR spectroscopy. J Proteome Res. 2012 Mar 2;11(3):1844-54. doi: 10.1021/pr2010692. Epub 2012 Jan 31.

pubmed_id:22292465

15:

reference_text:Lam CW, Law CY, To KK, Cheung SK, Lee KC, Sze KH, Leung KF, Yuen KY: NMR-based metabolomic urinalysis: a rapid screening test for urinary tract infection. Clin Chim Acta. 2014 Sep 25;436:217-23. doi: 10.1016/j.cca.2014.05.014. Epub 2014 Jun 6.

pubmed_id:24909875

16:

reference_text:Rey FE, Faith JJ, Bain J, Muehlbauer MJ, Stevens RD, Newgard CB, Gordon JI: Dissecting the in vivo metabolic potential of two human gut acetogens. J Biol Chem. 2010 Jul 16;285(29):22082-90. doi: 10.1074/jbc.M110.117713. Epub 2010 May 5.

pubmed_id:20444704

17:

reference_text:eMedicine: http://www.emedicinehealth.com/drug-acetic_acid_otic/article_em.htm

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