版本
5.0
创建日期
2005-11-16 15:48:42 UTC
更新日期
2020-10-09 20:57:19 UTC
登录号
HMDB0000056
地位
quantified
二级访问
HMDB00056

名称
beta-Alanine
描述
beta-Alanine is the only naturally occurring beta-amino acid - an amino acid in which the amino group is at the beta-position from the carboxylate group. It is formed in vivo by the degradation of dihydrouracil and carnosine. It is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (vitamin B-5), which itself is a component of coenzyme A. Under normal conditions, beta-alanine is metabolized into acetic acid. beta-Alanine can undergo a transanimation reaction with pyruvate to form malonate-semialdehyde and L-alanine. The malonate semialdehyde can then be converted into malonate via malonate-semialdehyde dehydrogenase. Malonate is then converted into malonyl-CoA and enter fatty acid biosynthesis. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, beta-alanine may act as a false transmitter replacing gamma-aminobutyric acid. When present in sufficiently high levels, beta-alanine can act as a neurotoxin, a mitochondrial toxin, and a metabotoxin. A neurotoxin is a compound that damages the brain or nerve tissue. A mitochondrial toxin is a compound that damages mitochondria and reduces cellular respiration as well as oxidative phosphorylation. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of beta-alanine are associated with at least three inborn errors of metabolism, including GABA-transaminase deficiency, hyper-beta-alaninemia, and methylmalonate semialdehyde dehydrogenase deficiency. beta-Alanine is a central nervous system (CNS) depressant and is an inhibitor of GABA transaminase. The associated inhibition of GABA transaminase and displacement of GABA from CNS binding sites can also lead to GABAuria (high levels of GABA in the urine) and convulsions. In addition to its neurotoxicity, beta-alanine reduces cellular levels of taurine, which are required for normal respiratory chain function. Cellular taurine depletion is known to reduce respiratory function and elevate mitochondrial superoxide generation, which damages mitochondria and increases oxidative stress (PMID: 27023909). Individuals suffering from mitochondrial defects or mitochondrial toxicity typically develop neurotoxicity, hypotonia, respiratory distress, and cardiac failure. beta-Alanine is a biomarker for the consumption of meat, especially red meat.
同义词
1:3-Aminopropanoic acid

2:3-Aminopropionic acid

3:BAla

4:beta-Aminopropionic acid

5:H-beta-Ala-OH

6:Omega-aminopropionic acid

7:3-Aminopropanoate

8:Abufene

9:3-Aminopropionate

10:b-Aminopropionate

11:b-Aminopropionic acid

12:beta-Aminopropionate

13:Β-aminopropionate

14:Β-aminopropionic acid

15:H-b-Ala-OH

16:H-Β-ala-OH

17:Omega-aminopropionate

18:b-Alanine

19:Β-alanine

20:2-Carboxyethylamine

21:3-Amino-propanoate

22:3-Amino-propanoic acid

23:b-Aminopropanoate

24:b-Aminopropanoic acid

25:beta Alanine

26:beta-Aminopropanoate

27:beta-Aminopropanoic acid

28:3 Aminopropionic acid

29:β-Aminopropanoic acid

30:omega-Aminopropanoic acid

31:ω-Aminopropanoic acid

32:ω-Aminopropionic acid

33:beta-Alanine

化学式
C3H7NO2
平均分子量
89.0932
等位分子量
89.047678473
化学名称
3-aminopropanoic acid
传统名称
β alanine
CAS 登记号
107-95-9
代谢物结构字符串
NCCC(O)=O
inchi标识符
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
印记键
UCMIRNVEIXFBKS-UHFFFAOYSA-N
分类学
description: belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

description:Beta amino acids and derivatives

kingdom:Organic compounds

super_class:Organic acids and derivatives

class:Carboxylic acids and derivatives

sub_class:Amino acids, peptides, and analogues

molecular_framework:Aliphatic acyclic compounds

1:Amino acids

2:Carbonyl compounds

3:Carboxylic acids

4:Hydrocarbon derivatives

5:Monoalkylamines

6:Monocarboxylic acids and derivatives

7:Organic oxides

8:Organopnictogen compounds

9:Aliphatic acyclic compound

10:Amine

11:Amino acid

12:Beta amino acid or derivatives

13:Carbonyl group

14:Carboxylic acid

15:Hydrocarbon derivative

16:Monocarboxylic acid or derivatives

17:Organic nitrogen compound

18:Organic oxide

19:Organic oxygen compound

20:Organonitrogen compound

21:Organooxygen compound

22:Organopnictogen compound

23:Primary aliphatic amine

24:Primary amine

25:Biogenic amines

26:Other amino acids

27:beta-amino 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: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:Hyper beta-alaninemia

definition:

parent_id:7695

***level:4

type:child

synonym:Hyperalaninemia

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: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:Synthetic

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

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: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: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:Pancreas

definition:A digestive organ in the abdomen that has both endocrine and exocrine functions. (nci).

parent_id:7727

***level:4

type:child

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:Placenta

definition:An organ present in some vertebrates during embryonic gestation that surrounds the fetus and provides it with nutrients and oxygen, facilitates gas and waste exchange between the fetus and mother, and provides parasitic cloaking from the mother's immune system by excretion of neurokinin b. (nci).

parent_id:7729

***level:4

type:child

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:Biofluid and excreta

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

parent_id:7725

**level:3

type:parent

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:Urine

definition:Excretion in liquid state processed by the kidney.

parent_id:7731

***level:4

type:child

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: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: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:Indirect biological role

definition:An indirect function of a chemical which affect the physiological state of any organism (apart from the source organism, if of biological source).

parent_id:7671

*level:2

type:parent

term:Neurotoxin

definition:A chemical substance that interferes with the normal functioning of the nervous system.

parent_id:7691

**level:3

type:child

synonym:Neurotoxic

synonym:Neurotoxic agent

term:Metabotoxin

definition:An endogenous metabolite that causes adverse health effects at chronically high levels.

parent_id:7691

**level:3

type:child

term:Mitochondrial toxin

definition:A chemical substance that damages mitochondria and reduces cellular respiration as well as oxidative phosphorylation.

parent_id:7691

**level:3

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:Molecular messenger

definition: a chemical substance that is involved in transmission of biochemical signals.

parent_id:7672

**level:3

type:parent

term:Neurotransmitter

definition:

parent_id:7677

***level:4

type:child

synonym:Neurotransmitter agent

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:Environmental contaminant

definition:A chemical substance, natural or synthetic, that when present in sufficient concentrations is harmful to organisms and the environment.

parent_id:7692

**level:3

type:child

synonym:Pollutant

synonym:Contaminant

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: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

状态
Solid
实验性质
1:

kind:water_solubility

value:545.0 mg/mL

source:

2:

kind:logp

value:-3.05

source:TSAI,RS ET AL. (1991)

3:

kind:melting_point

value:200 °C

source:

预测性质
1:

kind:logp

value:-3.26

source:ALOGPS

2:

kind:logs

value:0.74

source:ALOGPS

3:

kind:solubility

value:494 g/L

source:ALOGPS

4:

kind:logp

value:-3.2

source:ChemAxon

5:

kind:pka_strongest_acidic

value:4.08

source:ChemAxon

6:

kind:pka_strongest_basic

value:10.31

source:ChemAxon

7:

kind:iupac

value:3-aminopropanoic acid

source:ChemAxon

8:

kind:average_mass

value:89.0932

source:ChemAxon

9:

kind:mono_mass

value:89.047678473

source:ChemAxon

10:

kind:smiles

value:NCCC(O)=O

source:ChemAxon

11:

kind:formula

value:C3H7NO2

source:ChemAxon

12:

kind:inchi

value:InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

source:ChemAxon

13:

kind:inchikey

value:UCMIRNVEIXFBKS-UHFFFAOYSA-N

source:ChemAxon

14:

kind:polar_surface_area

value:63.32

source:ChemAxon

15:

kind:refractivity

value:20.7

source:ChemAxon

16:

kind:polarizability

value:8.62

source:ChemAxon

17:

kind:rotatable_bond_count

value:2

source:ChemAxon

18:

kind:acceptor_count

value:3

source:ChemAxon

19:

kind:donor_count

value:2

source:ChemAxon

20:

kind:physiological_charge

value:0

source:ChemAxon

21:

kind:formal_charge

value:0

source:ChemAxon

22:

kind:number_of_rings

value:0

source:ChemAxon

23:

kind:bioavailability

value:Yes

source:ChemAxon

24:

kind:rule_of_five

value:Yes

source:ChemAxon

25:

kind:ghose_filter

value:No

source:ChemAxon

26:

kind:veber_rule

value:No

source:ChemAxon

27:

kind:mddr_like_rule

value:No

source:ChemAxon

1:

type:Specdb::NmrTwoD

spectrum_id:945

2:

type:Specdb::NmrTwoD

spectrum_id:1116

3:

type:Specdb::EiMs

spectrum_id:1050

4:

type:Specdb::NmrOneD

spectrum_id:1058

5:

type:Specdb::NmrOneD

spectrum_id:1133

6:

type:Specdb::NmrOneD

spectrum_id:2113

7:

type:Specdb::NmrOneD

spectrum_id:2806

8:

type:Specdb::NmrOneD

spectrum_id:166486

9:

type:Specdb::CMs

spectrum_id:301

10:

type:Specdb::CMs

spectrum_id:302

11:

type:Specdb::CMs

spectrum_id:303

12:

type:Specdb::CMs

spectrum_id:304

13:

type:Specdb::CMs

spectrum_id:305

14:

type:Specdb::CMs

spectrum_id:896

15:

type:Specdb::CMs

spectrum_id:957

16:

type:Specdb::CMs

spectrum_id:1128

17:

type:Specdb::CMs

spectrum_id:2904

18:

type:Specdb::CMs

spectrum_id:30065

19:

type:Specdb::CMs

spectrum_id:30239

20:

type:Specdb::CMs

spectrum_id:30265

21:

type:Specdb::CMs

spectrum_id:30266

22:

type:Specdb::CMs

spectrum_id:30720

23:

type:Specdb::CMs

spectrum_id:30806

24:

type:Specdb::CMs

spectrum_id:30973

25:

type:Specdb::CMs

spectrum_id:30974

26:

type:Specdb::CMs

spectrum_id:30975

27:

type:Specdb::CMs

spectrum_id:31735

28:

type:Specdb::CMs

spectrum_id:31736

29:

type:Specdb::CMs

spectrum_id:37270

30:

type:Specdb::CMs

spectrum_id:145902

31:

type:Specdb::MsMs

spectrum_id:90

32:

type:Specdb::MsMs

spectrum_id:91

33:

type:Specdb::MsMs

spectrum_id:92

34:

type:Specdb::MsMs

spectrum_id:2679

35:

type:Specdb::MsMs

spectrum_id:2680

36:

type:Specdb::MsMs

spectrum_id:2681

37:

type:Specdb::MsMs

spectrum_id:2682

38:

type:Specdb::MsMs

spectrum_id:2683

39:

type:Specdb::MsMs

spectrum_id:2684

40:

type:Specdb::MsMs

spectrum_id:2685

41:

type:Specdb::MsMs

spectrum_id:2686

42:

type:Specdb::MsMs

spectrum_id:2692

43:

type:Specdb::MsMs

spectrum_id:11999

44:

type:Specdb::MsMs

spectrum_id:12000

45:

type:Specdb::MsMs

spectrum_id:12001

46:

type:Specdb::MsMs

spectrum_id:18671

47:

type:Specdb::MsMs

spectrum_id:18672

48:

type:Specdb::MsMs

spectrum_id:18673

49:

type:Specdb::MsMs

spectrum_id:20624

50:

type:Specdb::MsMs

spectrum_id:20625

51:

type:Specdb::MsMs

spectrum_id:20626

52:

type:Specdb::MsMs

spectrum_id:22175

53:

type:Specdb::MsMs

spectrum_id:22176

54:

type:Specdb::MsMs

spectrum_id:22177

55:

type:Specdb::MsMs

spectrum_id:437109

光谱
生物学性质
1:

cellular:(1):Cytoplasm

cellular:(2):Extracellular

cellular:(3):Mitochondria

2:

biospecimen:(1):Blood

biospecimen:(2):Cerebrospinal Fluid (CSF)

biospecimen:(3):Feces

biospecimen:(4):Saliva

biospecimen:(5):Urine

3:

tissue:(1):Kidney

tissue:(2):Pancreas

tissue:(3):Placenta

tissue:(4):Prostate

tissue:(5):Skeletal Muscle

4:

[1]:

name:Aspartate Metabolism

smpdb_id:SMP00067

kegg_map_id:map00250

[2]:

name:Beta Ureidopropionase Deficiency

smpdb_id:SMP00172

kegg_map_id:

[3]:

name:beta-Alanine metabolism

smpdb_id:

kegg_map_id:map00410

[4]:

name:Canavan Disease

smpdb_id:SMP00175

kegg_map_id:

[5]:

name:Carnosinuria, carnosinemia

smpdb_id:SMP00493

kegg_map_id:

[6]:

name:Dihydropyrimidinase Deficiency

smpdb_id:SMP00178

kegg_map_id:

[7]:

name:GABA-Transaminase Deficiency

smpdb_id:SMP00351

kegg_map_id:

[8]:

name:Histidine metabolism

smpdb_id:SMP00044

kegg_map_id:map00340

[9]:

name:Histidinemia

smpdb_id:SMP00191

kegg_map_id:

[10]:

name:Hypoacetylaspartia

smpdb_id:SMP00192

kegg_map_id:

[11]:

name:Malonic Aciduria

smpdb_id:SMP00198

kegg_map_id:

[12]:

name:Malonyl-coa decarboxylase deficiency

smpdb_id:SMP00502

kegg_map_id:

[13]:

name:Methylmalonic Aciduria Due to Cobalamin-Related Disorders

smpdb_id:SMP00201

kegg_map_id:

[14]:

name:MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)

smpdb_id:SMP00202

kegg_map_id:

[15]:

name:Propanoate metabolism

smpdb_id:

kegg_map_id:map00640

[16]:

name:Pyrimidine metabolism

smpdb_id:

kegg_map_id:map00240

[17]:

name:UMP Synthase Deficiency (Orotic Aciduria)

smpdb_id:SMP00219

kegg_map_id:

[18]:

name:Ureidopropionase Deficiency

smpdb_id:SMP00492

kegg_map_id:

正常浓度
1:

biospecimen:Blood

concentration_value:3.0 (1.3-20.0)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

2:

biospecimen:Blood

concentration_value:3.8 +/- 2.9

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

3:

biospecimen:Blood

concentration_value:1.76 +/- 0.74

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

4:

biospecimen:Blood

concentration_value:3.0 +/- 0.85

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

5:

biospecimen:Blood

concentration_value:3.00 +/- 0.85

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

6:

biospecimen:Blood

concentration_value:1.76 +/- 0.74

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

7:

biospecimen:Blood

concentration_value:3.0 +/- 0.85

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

8:

biospecimen:Blood

concentration_value:1.76 +/- 0.74

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

9:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.024 +/- 0.013

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

11:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Both

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:Both

subject_condition:Normal

14:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Female

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:Saliva

concentration_value:1.01 +/- 0.448

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

19:

biospecimen:Saliva

concentration_value:1.02 +/- 1.25

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

20:

biospecimen:Saliva

concentration_value:1.14 +/- 1.34

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

21:

biospecimen:Saliva

concentration_value:1.48 +/- 0.851

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

22:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

23:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

24:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

25:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

26:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

27:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

28:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

29:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

30:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

31:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

32:

biospecimen:Saliva

concentration_value:2.71 +/- 0.74

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

33:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

34:

biospecimen:Urine

concentration_value:<2.83

concentration_units:umol/mmol creatinine

subject_age:Children (1-13 years old)

subject_sex:Not Specified

subject_condition:Normal

35:

biospecimen:Urine

concentration_value:0.58-1.1

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

36:

biospecimen:Urine

concentration_value:2.4 +/- 3.0

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

37:

biospecimen:Urine

concentration_value:<5.54

concentration_units:umol/mmol creatinine

subject_age:Adolescent (13-18 years old)

subject_sex:Not Specified

subject_condition:Normal

38:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

39:

biospecimen:Urine

concentration_value:<5.88

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

40:

biospecimen:Urine

concentration_value:5.9 (3.4-13.0)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

41:

biospecimen:Urine

concentration_value:<24.77

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

42:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

43:

biospecimen:Urine

concentration_value:0.57-1.4

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

44:

biospecimen:Urine

concentration_value:0.0007 +/- 0.00075

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

45:

biospecimen:Urine

concentration_value:0.00068 +/- 0.00049

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

46:

biospecimen:Urine

concentration_value:1.27 +/- 0.9

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

47:

biospecimen:Urine

concentration_value:<10.41

concentration_units:umol/mmol creatinine

subject_age:Children (1-13 years old)

subject_sex:Not Specified

subject_condition:Normal

48:

biospecimen:Urine

concentration_value:11.821 +/- 6.072

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

49:

biospecimen:Urine

concentration_value:0 +/- 5.65

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

50:

biospecimen:Urine

concentration_value:0.8

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

51:

biospecimen:Urine

concentration_value:10.18 +/- 10.18

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

52:

biospecimen:Urine

concentration_value:24.87 +/- 62.18

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

53:

biospecimen:Urine

concentration_value:<2.83

concentration_units:umol/mmol creatinine

subject_age:Children (1-13 years old)

subject_sex:Not Specified

subject_condition:Normal

54:

biospecimen:Urine

concentration_value:0.23 +/- 0.73

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

55:

biospecimen:Urine

concentration_value:0.00068 +/- 0.00049

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

56:

biospecimen:Urine

concentration_value:0.0007 +/- 0.00075

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

异常浓度
1:

biospecimen:Blood

concentration_value:4.0 (0.9-6.2)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency

2:

biospecimen:Blood

concentration_value:2.7 +/- 1.3

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency

3:

biospecimen:Blood

concentration_value:6

concentration_units:uM

patient_age:Children (1-13 years old)

patient_sex:Male

patient_information:Methylmalonate semialdehyde dehydrogenase deficiency

4:

biospecimen:Blood

concentration_value:23.0

concentration_units:uM

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:GABA transaminase deficiency

5:

biospecimen:Blood

concentration_value:5.00 (0.00-10.00)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Hyper beta-alaninemia

6:

biospecimen:Blood

concentration_value:107.5 (15.00-200.00)

concentration_units:uM

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Hyper beta-alaninemia

7:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.036 +/- 0.034

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency

8:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.03 (0.00-0.06)

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Gaba-transaminase deficiency

9:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.48

concentration_units:uM

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:GABA transaminase deficiency

10:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:22.5 (0.00-45.00)

concentration_units:uM

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:Hyper beta-alaninemia

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

12:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

13:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohn disease

14:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

15:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

16:

biospecimen:Saliva

concentration_value:2.84 +/- 1.41

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Alzheimer's disease

17:

biospecimen:Saliva

concentration_value:3.33 +/- 1.32

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Frontotemporal lobe dementia

18:

biospecimen:Saliva

concentration_value:2.05 +/- 0.86

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Lewy body disease

19:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Oral cancer

20:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Female

patient_information:Breast cancer

21:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Pancreatic cancer

22:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Periodontal diseases

23:

biospecimen:Urine

concentration_value:1.4 +/- 1.4

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency

24:

biospecimen:Urine

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Bladder cancer

25:

biospecimen:Urine

concentration_value:23.937 +/- 15.623

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

26:

biospecimen:Urine

concentration_value:0.0-2.3

concentration_units:umol/mmol creatinine

patient_age:Children (1-13 years old)

patient_sex:Both

patient_information:GABA transaminase deficiency

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1:

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omim_id:613163

[1]:

reference_text:MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

pubmed_id:

2:

name:Hyper beta-alaninemia

omim_id:237400

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reference_text:MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

pubmed_id:

3:

name:Methylmalonate semialdehyde dehydrogenase deficiency

omim_id:614105

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4:

name:Colorectal cancer

omim_id:114500

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reference_text:Ishiwata S, Itoh K, Yamaguchi T, Ishida N, Mizugaki M: Comparison of serum and urinary levels of modified nucleoside, 1-methyladenosine, in cancer patients using a monoclonal antibody-based inhibition ELISA. Tohoku J Exp Med. 1995 May;176(1):61-8.

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reference_text:Monleon D, Morales JM, Barrasa A, Lopez JA, Vazquez C, Celda B: Metabolite profiling of fecal water extracts from human colorectal cancer. NMR Biomed. 2009 Apr;22(3):342-8. doi: 10.1002/nbm.1345.

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reference_text:Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013.

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reference_text:Ritchie SA, Ahiahonu PW, Jayasinghe D, Heath D, Liu J, Lu Y, Jin W, Kavianpour A, Yamazaki Y, Khan AM, Hossain M, Su-Myat KK, Wood PL, Krenitsky K, Takemasa I, Miyake M, Sekimoto M, Monden M, Matsubara H, Nomura F, Goodenowe DB: Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection. BMC Med. 2010 Feb 15;8:13. doi: 10.1186/1741-7015-8-13.

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reference_text:Cheng Y, Xie G, Chen T, Qiu Y, Zou X, Zheng M, Tan B, Feng B, Dong T, He P, Zhao L, Zhao A, Xu LX, Zhang Y, Jia W: Distinct urinary metabolic profile of human colorectal cancer. J Proteome Res. 2012 Feb 3;11(2):1354-63. doi: 10.1021/pr201001a. Epub 2011 Dec 28.

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reference_text:Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14.

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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:Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18.

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reference_text:Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016.

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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

5:

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.

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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.

pubmed_id:26848182

[12]:

reference_text:Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158.

pubmed_id:27609529

[13]:

reference_text:Azario I, Pievani A, Del Priore F, Antolini L, Santi L, Corsi A, Cardinale L, Sawamoto K, Kubaski F, Gentner B, Bernardo ME, Valsecchi MG, Riminucci M, Tomatsu S, Aiuti A, Biondi A, Serafini M: Neonatal umbilical cord blood transplantation halts skeletal disease progression in the murine model of MPS-I. Sci Rep. 2017 Aug 25;7(1):9473. doi: 10.1038/s41598-017-09958-9.

pubmed_id:28842642

6:

name:Ulcerative colitis

omim_id:

[1]:

reference_text:Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. doi: 10.1093/nar/gkq1126. Epub 2010 Nov 8.

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[2]:

reference_text:Almer S, Andersson T, Strom M: Pharmacokinetics of tranexamic acid in patients with ulcerative colitis and in healthy volunteers after the single instillation of 2 g rectally. J Clin Pharmacol. 1992 Jan;32(1):49-54.

pubmed_id:1740537

[3]:

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

[4]:

reference_text:Garner CE, Smith S, de Lacy Costello B, White P, Spencer R, Probert CS, Ratcliffe NM: Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease. FASEB J. 2007 Jun;21(8):1675-88. Epub 2007 Feb 21.

pubmed_id:17314143

[5]:

reference_text:Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8.

pubmed_id:21761941

[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]:

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pubmed_id:28842642

7:

name:Perillyl alcohol administration for cancer treatment

omim_id:

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reference_text:Silva CL, Passos M, Camara JS: Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis. Talanta. 2012 Jan 30;89:360-8. doi: 10.1016/j.talanta.2011.12.041. Epub 2011 Dec 22.

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pubmed_id:19010317

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name:Pancreatic cancer

omim_id:260350

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[3]:

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pubmed_id:25429707

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name:Periodontal disease

omim_id:170650

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pubmed_id:20300169

10:

name:Alzheimer's disease

omim_id:104300

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reference_text:Fonteh AN, Harrington RJ, Tsai A, Liao P, Harrington MG: Free amino acid and dipeptide changes in the body fluids from Alzheimer's disease subjects. Amino Acids. 2007 Feb;32(2):213-24. Epub 2006 Oct 10.

pubmed_id:17031479

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pubmed_id:11959400

[3]:

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reference_text:Serot JM, Barbe F, Arning E, Bottiglieri T, Franck P, Montagne P, Nicolas JP: Homocysteine and methylmalonic acid concentrations in cerebrospinal fluid: relation with age and Alzheimer's disease. J Neurol Neurosurg Psychiatry. 2005 Nov;76(11):1585-7.

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reference_text:Molina JA, Jimenez-Jimenez FJ, Aguilar MV, Meseguer I, Mateos-Vega CJ, Gonzalez-Munoz MJ, de Bustos F, Porta J, Orti-Pareja M, Zurdo M, Barrios E, Martinez-Para MC: Cerebrospinal fluid levels of transition metals in patients with Alzheimer's disease. J Neural Transm (Vienna). 1998;105(4-5):479-88.

pubmed_id:9720975

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reference_text:Molina JA, Jimenez-Jimenez FJ, Hernanz A, Fernandez-Vivancos E, Medina S, de Bustos F, Gomez-Escalonilla C, Sayed Y: Cerebrospinal fluid levels of thiamine in patients with Alzheimer's disease. J Neural Transm (Vienna). 2002 Jul;109(7-8):1035-44.

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reference_text:Bocca B, Forte G, Petrucci F, Pino A, Marchione F, Bomboi G, Senofonte O, Giubilei F, Alimonti A: Monitoring of chemical elements and oxidative damage in patients affected by Alzheimer's disease. Ann Ist Super Sanita. 2005;41(2):197-203.

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reference_text:Kristensen MO, Gulmann NC, Christensen JE, Ostergaard K, Rasmussen K: Serum cobalamin and methylmalonic acid in Alzheimer dementia. Acta Neurol Scand. 1993 Jun;87(6):475-81.

pubmed_id:8356878

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reference_text:Reichman ME, Judd JT, Longcope C, Schatzkin A, Clevidence BA, Nair PP, Campbell WS, Taylor PR: Effects of alcohol consumption on plasma and urinary hormone concentrations in premenopausal women. J Natl Cancer Inst. 1993 May 5;85(9):722-7.

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reference_text:Hozumi I, Hasegawa T, Honda A, Ozawa K, Hayashi Y, Hashimoto K, Yamada M, Koumura A, Sakurai T, Kimura A, Tanaka Y, Satoh M, Inuzuka T: Patterns of levels of biological metals in CSF differ among neurodegenerative diseases. J Neurol Sci. 2011 Apr 15;303(1-2):95-9. doi: 10.1016/j.jns.2011.01.003. Epub 2011 Feb 2.

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reference_text:Smach MA, Jacob N, Golmard JL, Charfeddine B, Lammouchi T, Ben Othman L, Dridi H, Bennamou S, Limem K: Folate and homocysteine in the cerebrospinal fluid of patients with Alzheimer's disease or dementia: a case control study. Eur Neurol. 2011;65(5):270-8. doi: 10.1159/000326301. Epub 2011 Apr 8.

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reference_text:Linnebank M, Popp J, Smulders Y, Smith D, Semmler A, Farkas M, Kulic L, Cvetanovska G, Blom H, Stoffel-Wagner B, Kolsch H, Weller M, Jessen F: S-adenosylmethionine is decreased in the cerebrospinal fluid of patients with Alzheimer's disease. Neurodegener Dis. 2010;7(6):373-8. doi: 10.1159/000309657. Epub 2010 Jun 3.

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reference_text:Rosler N, Wichart I, Jellinger KA: Clinical significance of neurobiochemical profiles in the lumbar cerebrospinal fluid of Alzheimer's disease patients. J Neural Transm (Vienna). 2001;108(2):231-46.

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reference_text:Sunderland T, Berrettini WH, Molchan SE, Lawlor BA, Martinez RA, Vitiello B, Tariot PN, Cohen RM: Reduced cerebrospinal fluid dynorphin A1-8 in Alzheimer's disease. Biol Psychiatry. 1991 Jul 1;30(1):81-7.

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reference_text:Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6.

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11:

name:Frontotemporal dementia

omim_id:600274

[1]:

reference_text:Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6.

pubmed_id:23857558

12:

name:Lewy body disease

omim_id:

[1]:

reference_text:Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6.

pubmed_id:23857558

13:

name:Dihydropyrimidine dehydrogenase deficiency

omim_id:274270

[1]:

reference_text:Van Kuilenburg AB, Stroomer AE, Van Lenthe H, Abeling NG, Van Gennip AH: New insights in dihydropyrimidine dehydrogenase deficiency: a pivotal role for beta-aminoisobutyric acid? Biochem J. 2004 Apr 1;379(Pt 1):119-24.

pubmed_id:14705962

[2]:

reference_text:Sumi S, Kidouchi K, Ohba S, Wada Y: Automated screening system for purine and pyrimidine metabolism disorders using high-performance liquid chromatography. J Chromatogr B Biomed Appl. 1995 Oct 20;672(2):233-9.

pubmed_id:8581129

[3]:

reference_text:Brockstedt M, Jakobs C, Smit LM, van Gennip AH, Berger R: A new case of dihydropyrimidine dehydrogenase deficiency. J Inherit Metab Dis. 1990;13(1):121-4.

pubmed_id:2109146

[4]:

reference_text:MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

pubmed_id:

14:

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号
C00099
DrugBank数据库编号
DB03107
foodb数据库编号
FDB002253
ChemSpider数据库编号
234
公共化学化合物编号
239
PDB数据库编号
生物利益的化学实体数据库编号
16958
knapsack数据库编号
C00001333
维基百科编号
Beta-Alanine
代谢途径的数据库编号
B-ALANINE
苯酚资源管理器化合物数据库编号
比格数据库编号
33848
梅林编号
5119
虚拟机身份证编号
ALA_B
fbonto数据库编号
综合参考
Buc, Saul R.; Ford, Jared H.; Wise, E. C. Improved synthesis of b-alanine. Journal of the American Chemical Society (1945), 67 92-4.
一般参考
1:

protein_accession:HMDBP00248

name:4-aminobutyrate aminotransferase, mitochondrial

uniprot_id:P80404

gene_name:ABAT

protein_type:Enzyme

2:

protein_accession:HMDBP00291

name:4-trimethylaminobutyraldehyde dehydrogenase

uniprot_id:P49189

gene_name:ALDH9A1

protein_type:Unknown

3:

protein_accession:HMDBP00292

name:Aldehyde dehydrogenase, dimeric NADP-preferring

uniprot_id:P30838

gene_name:ALDH3A1

protein_type:Unknown

4:

protein_accession:HMDBP00293

name:Alpha-aminoadipic semialdehyde dehydrogenase

uniprot_id:P49419

gene_name:ALDH7A1

protein_type:Unknown

5:

protein_accession:HMDBP00294

name:Aldehyde dehydrogenase family 1 member A3

uniprot_id:P47895

gene_name:ALDH1A3

protein_type:Unknown

6:

protein_accession:HMDBP00295

name:Aldehyde dehydrogenase, mitochondrial

uniprot_id:P05091

gene_name:ALDH2

protein_type:Unknown

7:

protein_accession:HMDBP00296

name:Fatty aldehyde dehydrogenase

uniprot_id:P51648

gene_name:ALDH3A2

protein_type:Unknown

8:

protein_accession:HMDBP00297

name:Aldehyde dehydrogenase X, mitochondrial

uniprot_id:P30837

gene_name:ALDH1B1

protein_type:Unknown

9:

protein_accession:HMDBP00473

name:Beta-Ala-His dipeptidase

uniprot_id:Q96KN2

gene_name:CNDP1

protein_type:Unknown

10:

protein_accession:HMDBP00483

name:UDP-glucuronosyltransferase 1-1

uniprot_id:P22309

gene_name:UGT1A1

protein_type:Enzyme

11:

protein_accession:HMDBP00541

name:Aldehyde dehydrogenase family 3 member B2

uniprot_id:P48448

gene_name:ALDH3B2

protein_type:Unknown

12:

protein_accession:HMDBP00542

name:Aldehyde dehydrogenase family 3 member B1

uniprot_id:P43353

gene_name:ALDH3B1

protein_type:Unknown

13:

protein_accession:HMDBP00544

name:Beta-ureidopropionase

uniprot_id:Q9UBR1

gene_name:UPB1

protein_type:Unknown

14:

protein_accession:HMDBP00702

name:Glutamate decarboxylase 2

uniprot_id:Q05329

gene_name:GAD2

protein_type:Enzyme

15:

protein_accession:HMDBP00703

name:Glutamate decarboxylase 1

uniprot_id:Q99259

gene_name:GAD1

protein_type:Enzyme

16:

protein_accession:HMDBP02887

name:Sodium- and chloride-dependent taurine transporter

uniprot_id:P31641

gene_name:SLC6A6

protein_type:Unknown

17:

protein_accession:HMDBP05340

name:Monocarboxylate transporter 10

uniprot_id:Q8TF71

gene_name:SLC16A10

protein_type:Transporter

18:

protein_accession:HMDBP08844

name:Carnosine synthase 1

uniprot_id:A5YM72

gene_name:CARNS1

protein_type:Unknown

蛋白质结合
1:

reference_text:van Kuilenburg AB, Meinsma R, Beke E, Assmann B, Ribes A, Lorente I, Busch R, Mayatepek E, Abeling NG, van Cruchten A, Stroomer AE, van Lenthe H, Zoetekouw L, Kulik W, Hoffmann GF, Voit T, Wevers RA, Rutsch F, van Gennip AH: beta-Ureidopropionase deficiency: an inborn error of pyrimidine degradation associated with neurological abnormalities. Hum Mol Genet. 2004 Nov 15;13(22):2793-801. Epub 2004 Sep 22.

pubmed_id:15385443

2:

reference_text:Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762.

pubmed_id:19212411

3:

reference_text:Van Kuilenburg AB, Stroomer AE, Van Lenthe H, Abeling NG, Van Gennip AH: New insights in dihydropyrimidine dehydrogenase deficiency: a pivotal role for beta-aminoisobutyric acid? Biochem J. 2004 Apr 1;379(Pt 1):119-24.

pubmed_id:14705962

4:

reference_text:Malet-Martino MC, Bernadou J, Martino R, Armand JP: 19F NMR spectrometry evidence for bile acid conjugates of alpha-fluoro-beta-alanine as the main biliary metabolites of antineoplastic fluoropyrimidines in humans. Drug Metab Dispos. 1988 Jan-Feb;16(1):78-84.

pubmed_id:2894959

5:

reference_text:Klebanov GI, Teselkin YuO, Babenkova IV, Lyubitsky OB, Rebrova OYu, Boldyrev AA, Vladimirov YuA: Effect of carnosine and its components on free-radical reactions. Membr Cell Biol. 1998;12(1):89-99.

pubmed_id:9829262

6:

reference_text:Aznar J, Gilabert J, Estelles A, Fernandez MA, Villa P, Aznar JA: Evaluation of the soluble fibrin monomer complexes and other coagulation parameters in obstetric patients. Thromb Res. 1982 Sep 15;27(6):691-701.

pubmed_id:7179210

7:

reference_text:Champion EE, Mann SJ, Glazier JD, Jones CJ, Rawlings JM, Sibley CP, Greenwood SL: System beta and system A amino acid transporters in the feline endotheliochorial placenta. Am J Physiol Regul Integr Comp Physiol. 2004 Dec;287(6):R1369-79. Epub 2004 Jul 29.

pubmed_id:15284084

8:

reference_text:Kuo KC, Cole TF, Gehrke CW, Waalkes TP, Borek E: Dual-column cation-exchange chromatographic method for beta-aminoisobutyric acid and beta-alanine in biological samples. Clin Chem. 1978 Aug;24(8):1373-80.

pubmed_id:679461

9:

reference_text:Heggie GD, Sommadossi JP, Cross DS, Huster WJ, Diasio RB: Clinical pharmacokinetics of 5-fluorouracil and its metabolites in plasma, urine, and bile. Cancer Res. 1987 Apr 15;47(8):2203-6.

pubmed_id:3829006

10:

reference_text:Gibson KM, Schor DS, Gupta M, Guerand WS, Senephansiri H, Burlingame TG, Bartels H, Hogema BM, Bottiglieri T, Froestl W, Snead OC, Grompe M, Jakobs C: Focal neurometabolic alterations in mice deficient for succinate semialdehyde dehydrogenase. J Neurochem. 2002 Apr;81(1):71-9.

pubmed_id:12067239

11:

reference_text:Holm B, Nilsen DW, Kierulf P, Godal HC: Purification and characterization of 3 fibrinogens with different molecular weights obtained from normal human plasma. Thromb Res. 1985 Jan 1;37(1):165-76.

pubmed_id:3983897

12:

reference_text:Chen Y, Getchell TV, Sparks DL, Getchell ML: Cellular localization of carnosinase in the human nasal mucosa. Acta Otolaryngol. 1994 Mar;114(2):193-8.

pubmed_id:8203202

13:

reference_text:Milasta S, Pediani J, Appelbe S, Trim S, Wyatt M, Cox P, Fidock M, Milligan G: Interactions between the Mas-related receptors MrgD and MrgE alter signalling and trafficking of MrgD. Mol Pharmacol. 2006 Feb;69(2):479-91. Epub 2005 Nov 9.

pubmed_id:16282220

14:

reference_text:Harris RC, Tallon MJ, Dunnett M, Boobis L, Coakley J, Kim HJ, Fallowfield JL, Hill CA, Sale C, Wise JA: The absorption of orally supplied beta-alanine and its effect on muscle carnosine synthesis in human vastus lateralis. Amino Acids. 2006 May;30(3):279-89. Epub 2006 Mar 24.

pubmed_id:16554972

15:

reference_text:Hibbard JU, Pridjian G, Whitington PF, Moawad AH: Taurine transport in the in vitro perfused human placenta. Pediatr Res. 1990 Jan;27(1):80-4.

pubmed_id:2296474

16:

reference_text:Karmanskii IM: [Effect of pepsin on low density serum lipoproteins]. Vopr Med Khim. 1977 Jul-Aug;23(4):530-4.

pubmed_id:200005

17:

reference_text:Johnson MR, Barnes S, Sweeny DJ, Diasio RB: 2-Fluoro-beta-alanine, a previously unrecognized substrate for bile acid coenzyme A:amino acid:N-acyltransferase from human liver. Biochem Pharmacol. 1990 Sep 15;40(6):1241-6.

pubmed_id:2119585

18:

reference_text:Shetewy A, Shimada-Takaura K, Warner D, Jong CJ, Mehdi AB, Alexeyev M, Takahashi K, Schaffer SW: Mitochondrial defects associated with beta-alanine toxicity: relevance to hyper-beta-alaninemia. Mol Cell Biochem. 2016 May;416(1-2):11-22. doi: 10.1007/s11010-016-2688-z. Epub 2016 Mar 29.

pubmed_id:27023909

19:

reference_text:Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043.

pubmed_id:32033212

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