版本
5.0
创建日期
2005-11-16 15:48:42 UTC
更新日期
2020-11-09 23:12:47 UTC
登录号
HMDB0000209
地位
quantified
二级访问
HMDB0001326

HMDB00209

HMDB01326

名称
Phenylacetic acid
描述
Phenyl acetate (or phenylacetate) is a carboxylic acid ester that has been found in the biofluids of patients with nephritis and/or hepatitis as well as patients with phenylketonuria (PKU), an inborn error of metabolism. Phenyl acetate has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Excess phenylalanine in the body can be disposed of through a transamination process leading to the production of phenylpyruvate. The phenylpyruvate can be further metabolized into a number of products. Decarboxylation of phenylpyruvate gives phenylacetate, while a reduction reaction gives phenyllactate. The phenylacetate can be further conjugated with glutamine to give phenylacetyl glutamine. All of these metabolites can be detected in serum and urine of PKU patients. Phenyl acetate is also produced endogenously as the metabolite of 2-Phenylethylamine, which is mainly metabolized by monoamine oxidase to form phenyl acetate. 2-phenylethylamine is an "endogenous amphetamine" which may modulate central adrenergic functions, and the urinary phenyl acetate levels have been postulated as a marker for depression. (PMID: 17978765 , 476920 , 6857245). Phenylacetate is also found in essential oils, e.g. neroli, rose oil, free and as esters' and in many fruits. As a result it is used as a perfumery and flavoring ingredient. Phenyl acetate is a microbial metabolite.
同义词
1:2-PHENYLACETIC ACID

2:2-Phenylethanoic acid

3:alpha-Toluic acid

4:Benzeneacetic acid

5:Benzylformic acid

6:Omega-phenylacetic acid

7:PA

8:Phenylacetate

9:2-PHENYLACETate

10:a-Toluate

11:a-Toluic acid

12:alpha-Toluate

13:Α-toluate

14:Α-toluic acid

15:Benzeneacetate

16:Benzylformate

17:Omega-phenylacetate

18:Phenylethanoate

19:W-Phenylacetate

20:W-Phenylacetic acid

21:Phenylacetic acid, potassium salt

22:Sodium phenylacetate

23:Phenylacetic acid, lithium salt

24:Phenylacetic acid, sodium salt

25:Phenylacetic acid, ammonium salt

26:Phenylacetic acid, calcium salt

27:Phenylacetic acid, cesium salt

28:Phenylacetic acid, mercury salt

29:Phenylacetic acid, rubidium salt

30:Phenylacetic acid, sodium salt , carboxy-(11)C-labeled CPD

31:PAA

32:ω-Phenylacetic acid

33:Phenylacetic acid

化学式
C8H8O2
平均分子量
136.1479
等位分子量
136.0524295
化学名称
2-phenylacetic acid
传统名称
ω-phenylacetic acid
CAS 登记号
103-82-2
代谢物结构字符串
OC(=O)CC1=CC=CC=C1
inchi标识符
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
印记键
WLJVXDMOQOGPHL-UHFFFAOYSA-N
分类学
description: belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

description:Benzene and substituted derivatives

kingdom:Organic compounds

super_class:Benzenoids

class:Benzene and substituted derivatives

sub_class:

molecular_framework:Aromatic homomonocyclic compounds

1:Carbonyl compounds

2:Carboxylic acids

3:Hydrocarbon derivatives

4:Monocarboxylic acids and derivatives

5:Organic oxides

6:Aromatic homomonocyclic compound

7:Carbonyl group

8:Carboxylic acid

9:Carboxylic acid derivative

10:Hydrocarbon derivative

11:Monocarboxylic acid or derivatives

12:Monocyclic benzene moiety

13:Organic oxide

14:Organic oxygen compound

15:Organooxygen compound

16:benzenes

17: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:Health effect

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

parent_id:7693

*level:2

type:parent

term:Observation

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

parent_id:7694

**level:3

type:parent

term:Bleeding

definition:

parent_id:7717

***level:4

type:child

term:Attachment loss

definition:

parent_id:7717

***level:4

type:child

term:Missing teeth

definition:

parent_id:7717

***level:4

type:child

term:Periodontal Probing Depth

definition:

parent_id:7717

***level:4

type:child

term:Prosthesis/Missing teeth

definition:

parent_id:7717

***level:4

type:child

term:Supragingival Calculus

definition:

parent_id:7717

***level:4

type:child

term:Supragingival Plaque

definition:

parent_id:7717

***level:4

type:child

term:Tooth Decay

definition:

parent_id:7717

***level:4

type:child

term:Investigations

definition:The act or process of a systematic and thorough examination; research, study; the process of inquiring into or following up, intended to develop facts. (nci).

parent_id:7717

***level:4

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:Kidney disease

definition:A urinary system disease that is located in the kidney. (do).

parent_id:7695

***level:4

type:child

synonym:Renal disease

synonym:Nephropathy

term:Coma

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

parent_id:7695

***level:4

type:child

term:Psychosis

definition:A mental disorder characterized by personality change, impaired functioning, and loss of touch with reality. (NCI)

parent_id:7695

***level:4

type:child

term:Uremia

definition:A disorder characterized by accummulation of solutes in the blood of people with chronic kidney disease. (do).

parent_id:7695

***level:4

type:child

synonym:Uraemia

term:Nervous system disorders

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

parent_id:7695

***level:4

type:parent

term:Renal and urinary disorders

definition:Any disorder that affects the kidneys and the urologic system.

parent_id:7695

***level:4

type:parent

term:Psychiatric disorders

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

parent_id:7695

***level:4

type:parent

term:Cardiac disorders

definition:Any disorder that affects the heart.

parent_id:7695

***level:4

type:parent

term:Gastrointestinal disorders

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

parent_id:7695

***level:4

type:parent

term: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:Dermal

definition:Chemical exposure by contact with the dermis or a cuticle or cornified region of the epidermis.

parent_id:7745

***level:4

type:child

synonym:Topical

synonym:Skin contact

synonym:Cutaneous (related but nor necessarily exact synonym)

synonym:Transdermal

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:Biological location

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

parent_id:7724

*level:2

type:parent

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:Source

definition:Natural or synthetic origin of a chemical.

parent_id:7724

*level:2

type:parent

term:Endogenous

definition:

parent_id:7735

**level:3

type:child

term:Food

definition:

parent_id:7735

**level:3

type:child

term:Biological

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

parent_id:7735

**level:3

type:parent

term:Animal

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

parent_id:7736

***level:4

type:child

synonym:Fauna

term:Microbe

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

parent_id:7736

***level:4

type:child

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: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:Toxin

definition:A chemical substance naturally produced by an organism and poisonous to other organisms.

parent_id:7691

**level:3

type:child

synonym:Toxic agent

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:16.6 mg/mL

source:

2:

kind:logp

value:1.41

source:HANSCH,C ET AL. (1995)

3:

kind:melting_point

value:76.7 °C

source:

预测性质
1:

kind:logp

value:1.72

source:ALOGPS

2:

kind:logs

value:-1.58

source:ALOGPS

3:

kind:solubility

value:3.61 g/L

source:ALOGPS

4:

kind:logp

value:1.61

source:ChemAxon

5:

kind:pka_strongest_acidic

value:4.55

source:ChemAxon

6:

kind:iupac

value:2-phenylacetic acid

source:ChemAxon

7:

kind:average_mass

value:136.1479

source:ChemAxon

8:

kind:mono_mass

value:136.0524295

source:ChemAxon

9:

kind:smiles

value:OC(=O)CC1=CC=CC=C1

source:ChemAxon

10:

kind:formula

value:C8H8O2

source:ChemAxon

11:

kind:inchi

value:InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

source:ChemAxon

12:

kind:inchikey

value:WLJVXDMOQOGPHL-UHFFFAOYSA-N

source:ChemAxon

13:

kind:polar_surface_area

value:37.3

source:ChemAxon

14:

kind:refractivity

value:37.37

source:ChemAxon

15:

kind:polarizability

value:13.85

source:ChemAxon

16:

kind:rotatable_bond_count

value:2

source:ChemAxon

17:

kind:acceptor_count

value:2

source:ChemAxon

18:

kind:donor_count

value:1

source:ChemAxon

19:

kind:physiological_charge

value:-1

source:ChemAxon

20:

kind:formal_charge

value:0

source:ChemAxon

21:

kind:number_of_rings

value:1

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

1:

type:Specdb::NmrTwoD

spectrum_id:1208

2:

type:Specdb::EiMs

spectrum_id:436

3:

type:Specdb::CMs

spectrum_id:1016

4:

type:Specdb::CMs

spectrum_id:2640

5:

type:Specdb::CMs

spectrum_id:29481

6:

type:Specdb::CMs

spectrum_id:31075

7:

type:Specdb::CMs

spectrum_id:31879

8:

type:Specdb::CMs

spectrum_id:37358

9:

type:Specdb::CMs

spectrum_id:162591

10:

type:Specdb::NmrOneD

spectrum_id:1195

11:

type:Specdb::NmrOneD

spectrum_id:1204

12:

type:Specdb::NmrOneD

spectrum_id:2772

13:

type:Specdb::NmrOneD

spectrum_id:4993

14:

type:Specdb::NmrOneD

spectrum_id:4994

15:

type:Specdb::NmrOneD

spectrum_id:142890

16:

type:Specdb::NmrOneD

spectrum_id:142891

17:

type:Specdb::NmrOneD

spectrum_id:142892

18:

type:Specdb::NmrOneD

spectrum_id:142893

19:

type:Specdb::NmrOneD

spectrum_id:142894

20:

type:Specdb::NmrOneD

spectrum_id:142895

21:

type:Specdb::NmrOneD

spectrum_id:142896

22:

type:Specdb::NmrOneD

spectrum_id:142897

23:

type:Specdb::NmrOneD

spectrum_id:142898

24:

type:Specdb::NmrOneD

spectrum_id:142899

25:

type:Specdb::NmrOneD

spectrum_id:142900

26:

type:Specdb::NmrOneD

spectrum_id:142901

27:

type:Specdb::NmrOneD

spectrum_id:142902

28:

type:Specdb::NmrOneD

spectrum_id:142903

29:

type:Specdb::NmrOneD

spectrum_id:142904

30:

type:Specdb::NmrOneD

spectrum_id:142905

31:

type:Specdb::NmrOneD

spectrum_id:142906

32:

type:Specdb::NmrOneD

spectrum_id:142907

33:

type:Specdb::NmrOneD

spectrum_id:142908

34:

type:Specdb::NmrOneD

spectrum_id:142909

35:

type:Specdb::MsMs

spectrum_id:6130

36:

type:Specdb::MsMs

spectrum_id:178593

37:

type:Specdb::MsMs

spectrum_id:178594

38:

type:Specdb::MsMs

spectrum_id:178595

39:

type:Specdb::MsMs

spectrum_id:180912

40:

type:Specdb::MsMs

spectrum_id:180913

41:

type:Specdb::MsMs

spectrum_id:180914

42:

type:Specdb::MsMs

spectrum_id:438658

43:

type:Specdb::MsMs

spectrum_id:440176

44:

type:Specdb::MsMs

spectrum_id:2252735

45:

type:Specdb::MsMs

spectrum_id:2253762

46:

type:Specdb::MsMs

spectrum_id:2254811

47:

type:Specdb::MsMs

spectrum_id:2255745

48:

type:Specdb::MsMs

spectrum_id:2256898

49:

type:Specdb::MsMs

spectrum_id:2257710

50:

type:Specdb::MsMs

spectrum_id:2258846

51:

type:Specdb::MsMs

spectrum_id:2259708

52:

type:Specdb::MsMs

spectrum_id:2761072

53:

type:Specdb::MsMs

spectrum_id:2761073

54:

type:Specdb::MsMs

spectrum_id:2761074

55:

type:Specdb::MsMs

spectrum_id:2945016

56:

type:Specdb::MsMs

spectrum_id:2945017

57:

type:Specdb::MsMs

spectrum_id:2945018

光谱
生物学性质
1:

2:

biospecimen:(1):Blood

biospecimen:(2):Cerebrospinal Fluid (CSF)

biospecimen:(3):Feces

biospecimen:(4):Saliva

biospecimen:(5):Urine

3:

4:

[1]:

name:Phenylalanine metabolism

smpdb_id:

kegg_map_id:map00360

正常浓度
1:

biospecimen:Blood

concentration_value:47.24 +/- 5.866

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

2:

biospecimen:Blood

concentration_value:58.864 +/- 3.78

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

3:

biospecimen:Blood

concentration_value:50.34 +/- 4.973

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

4:

biospecimen:Blood

concentration_value:53.443 +/- 6.56

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

5:

biospecimen:Blood

concentration_value:48.507 +/- 3.763

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

6:

biospecimen:Blood

concentration_value:49.663 +/- 3.885

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

7:

biospecimen:Blood

concentration_value:51.556 +/- 6.132

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

8:

biospecimen:Blood

concentration_value:80.36 +/- 24.113

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

9:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Normal

10:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

11:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

12:

biospecimen:Blood

concentration_value:<10.28

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

13:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

14:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

15:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

16:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.148 +/- 0.0198

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

17:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.248 +/- 0.0294

concentration_units:uM

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

18:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.306

concentration_units:uM

subject_age:Not Specified

subject_sex:Not Specified

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:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

22:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

23:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

24:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

25:

biospecimen:Feces

concentration_value:1182.538 +/- 1035.638

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

26:

biospecimen:Feces

concentration_value:1344.126 +/- 1226.607

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

27:

biospecimen:Feces

concentration_value:498.722 +/- 287.922

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

28:

biospecimen:Feces

concentration_value:689.691 +/- 438.494

concentration_units:nmol/g wet feces

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

29:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:

subject_condition:Normal

30:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

31:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

32:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age: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:878.0157 +/- 425.714

concentration_units:nmol/g wet feces

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

35:

biospecimen:Feces

concentration_value:92.436 (8.814-697.0361)

concentration_units:nmol/g wet feces

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:1115.698 +/- 659.577

concentration_units:nmol/g wet feces

subject_age:Not Specified

subject_sex:Not Specified

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:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

42:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

43:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

44:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

45:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

46:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

47:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

48:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

49:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

50:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

51:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

52:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

53:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

54:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

55:

biospecimen:Saliva

concentration_value:47.04 +/- 31.31

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

56:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

57:

biospecimen:Urine

concentration_value:0.000000079 (0-0.00000095)

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

58:

biospecimen:Urine

concentration_value:8.994 +/- 5.642

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

59:

biospecimen:Urine

concentration_value:0.25-0.46

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

60:

biospecimen:Urine

concentration_value:4.16 +/- 0.91

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

61:

biospecimen:Urine

concentration_value:<2.16

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 18 years old)

subject_sex:Both

subject_condition:Normal

62:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

63:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

64:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

65:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:

subject_sex:

subject_condition:Consuming polyphenols described by Phenol-Explorer entry 956

66:

biospecimen:Urine

concentration_value:0.20-0.41

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

67:

biospecimen:Urine

concentration_value:0.3

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

68:

biospecimen:Urine

concentration_value:1.9

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

异常浓度
1:

biospecimen:Blood

concentration_value:3490.0 +/- 330.0

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Kidney disease

2:

biospecimen:Blood

concentration_value:3485.92 +/- 329.79

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:uremia

3:

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Leukemia

4:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Campylobacter jejuni infection

5:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

6:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

7:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Irritable bowel syndrome

8:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

9:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

10:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohn disease

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

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:Colorectal cancer

14:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

15:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Attachment loss 

16:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Missing teeth

17:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Periodontal Probing Depth

18:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Prosthesis/Missing teeth

19:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Supragingival Calculus

20:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Supragingival Plaque

21:

biospecimen:Saliva

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Male

patient_information:Tooth Decay

22:

biospecimen:Urine

concentration_value:55.6 +/- 87.3

concentration_units:umol/mmol creatinine

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:Phenylketonuria

23:

biospecimen:Urine

concentration_value:16.505 +/- 12.758

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

24:

biospecimen:Urine

concentration_value:55.00 +/- 87.00

concentration_units:umol/mmol creatinine

patient_age:Newborn (0-30 days old)

patient_sex:Both

patient_information:Phenylketonuria

疾病参考
1:

name:Kidney disease

omim_id:

[1]:

reference_text:McGregor DO, Dellow WJ, Lever M, George PM, Robson RA, Chambers ST: Dimethylglycine accumulates in uremia and predicts elevated plasma homocysteine concentrations. Kidney Int. 2001 Jun;59(6):2267-72.

pubmed_id:11380830

[2]:

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

pubmed_id:11418788

[3]:

reference_text:Jankowski J, van der Giet M, Jankowski V, Schmidt S, Hemeier M, Mahn B, Giebing G, Tolle M, Luftmann H, Schluter H, Zidek W, Tepel M: Increased plasma phenylacetic acid in patients with end-stage renal failure inhibits iNOS expression. J Clin Invest. 2003 Jul;112(2):256-64.

pubmed_id:12865413

[4]:

reference_text:Gill DS, Fonseca VA, Barradas MA, Balliod R, Moorhead JF, Dandona P: Plasma histamine in patients with chronic renal failure and nephrotic syndrome. J Clin Pathol. 1991 Mar;44(3):243-5.

pubmed_id:2013627

[5]:

reference_text:Niwa T, Takeda N, Yoshizumi H: RNA metabolism in uremic patients: accumulation of modified ribonucleosides in uremic serum. Technical note. Kidney Int. 1998 Jun;53(6):1801-6.

pubmed_id:9607216

[6]:

reference_text:Takagi T, Chung TG, Saito A: Determination of polyamines in hydrolysates of uremic plasma by high-performance cation-exchange column chromatography. J Chromatogr. 1983 Feb 11;272(2):279-85.

pubmed_id:6833425

[7]:

reference_text:Burke RA, Moberly JB, Patel H, Shockley TR, Martis L: Maltose and isomaltose in uremic plasma following icodextrin administration. Adv Perit Dial. 1998;14:120-3.

pubmed_id:10649708

[8]:

reference_text:Fleck C, Schweitzer F, Karge E, Busch M, Stein G: Serum concentrations of asymmetric (ADMA) and symmetric (SDMA) dimethylarginine in patients with chronic kidney diseases. Clin Chim Acta. 2003 Oct;336(1-2):1-12.

pubmed_id:14500028

[9]:

reference_text:Raj DS, Ouwendyk M, Francoeur R, Pierratos A: Plasma amino acid profile on nocturnal hemodialysis. Blood Purif. 2000;18(2):97-102.

pubmed_id:10838467

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reference_text:Liebich HM, Woll J: Volatile substances in blood serum: profile analysis and quantitative determination. J Chromatogr. 1977 Nov 11;142:505-16.

pubmed_id:914932

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reference_text:Galley HF, Le Cras AE, Yassen K, Grant IS, Webster NR: Circulating tetrahydrobiopterin concentrations in patients with septic shock. Br J Anaesth. 2001 Apr;86(4):578-80.

pubmed_id:11573638

[12]:

reference_text:Paniagua R, Claure R, Amato D, Flores E, Perez A, Exaire E: Effects of oral administration of zinc and diiodohydroxyquinolein on plasma zinc levels of uremic patients. Nephron. 1995;69(2):147-50.

pubmed_id:7723896

[13]:

reference_text:Chuang CK, Lin SP, Chen HH, Chen YC, Wang TJ, Shieh WH, Wu CJ: Plasma free amino acids and their metabolites in Taiwanese patients on hemodialysis and continuous ambulatory peritoneal dialysis. Clin Chim Acta. 2006 Feb;364(1-2):209-16. Epub 2005 Aug 8.

pubmed_id:16087168

[14]:

reference_text:Butscheid M, Schafer C, Brenner S, Alscher D, Murdter T, Niwa T, Frischmann M, Pischetsrieder M, Klotz U: Unchanged serum levels of advanced glycation endproducts in patients with liver disease. Naunyn Schmiedebergs Arch Pharmacol. 2007 Aug;375(6):401-6. Epub 2007 Jun 15.

pubmed_id:17571253

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reference_text:Stenvinkel P, Rodriguez-Ayala E, Massy ZA, Qureshi AR, Barany P, Fellstrom B, Heimburger O, Lindholm B, Alvestrand A: Statin treatment and diabetes affect myeloperoxidase activity in maintenance hemodialysis patients. Clin J Am Soc Nephrol. 2006 Mar;1(2):281-7. Epub 2006 Feb 1.

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reference_text:Bain MA, Faull R, Milne RW, Evans AM: Oral L-carnitine: metabolite formation and hemodialysis. Curr Drug Metab. 2006 Oct;7(7):811-6.

pubmed_id:17073580

[17]:

reference_text:Bain MA, Faull R, Fornasini G, Milne RW, Evans AM: Accumulation of trimethylamine and trimethylamine-N-oxide in end-stage renal disease patients undergoing haemodialysis. Nephrol Dial Transplant. 2006 May;21(5):1300-4. Epub 2006 Jan 9.

pubmed_id:16401621

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reference_text:Teerlink T, Hennekes MW, Mulder C, Brulez HF: Determination of dimethylamine in biological samples by high-performance liquid chromatography. J Chromatogr B Biomed Sci Appl. 1997 Apr 11;691(2):269-76.

pubmed_id:9174262

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reference_text:Yokoyama K, Tajima M, Yoshida H, Nakayama M, Tokutome G, Sakagami H, Hosoya T: Plasma pteridine concentrations in patients with chronic renal failure. Nephrol Dial Transplant. 2002 Jun;17(6):1032-6.

pubmed_id:12032193

[20]:

reference_text:Paroni R, Ceriotti F, Galanello R, Battista Leoni G, Panico A, Scurati E, Paleari R, Chemello L, Quaino V, Scaldaferri L, Lapolla A, Mosca A: Performance characteristics and clinical utility of an enzymatic method for the measurement of glycated albumin in plasma. Clin Biochem. 2007 Dec;40(18):1398-405. Epub 2007 Aug 10.

pubmed_id:17919531

[21]:

reference_text:Nieren- und Hochdruckkrankheiten (1978), 7(2), 62-74 (translated from German Kidney and Hypertension).

pubmed_id:

2:

name:Leukemia

omim_id:

[1]:

reference_text:Lee SH, Suh JW, Chung BC, Kim SO: Polyamine profiles in the urine of patients with leukemia. Cancer Lett. 1998 Jan 9;122(1-2):1-8.

pubmed_id:9464484

[2]:

reference_text:Curtius HC, Wolfensberger M, Redweik U, Leimbacher W, Maibach RA, Isler W: Mass fragmentography of 5-hydroxytryptophol and 5-methoxytryptophol in human cerebrospinal fluid. J Chromatogr. 1975 Oct 29;112:523-31.

pubmed_id:1184685

[3]:

reference_text:Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. Epub 2005 Apr 14.

pubmed_id:15911239

[4]:

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.

pubmed_id:7482520

[5]:

reference_text:Silvennoinen R, Malminiemi K, Malminiemi O, Seppala E, Vilpo J: Pharmacokinetics of chlorambucil in patients with chronic lymphocytic leukaemia: comparison of different days, cycles and doses. Pharmacol Toxicol. 2000 Nov;87(5):223-8.

pubmed_id:11129502

3:

name:Uremia

omim_id:

[1]:

reference_text:Canepa A, Filho JC, Gutierrez A, Carrea A, Forsberg AM, Nilsson E, Verrina E, Perfumo F, Bergstrom J: Free amino acids in plasma, red blood cells, polymorphonuclear leukocytes, and muscle in normal and uraemic children. Nephrol Dial Transplant. 2002 Mar;17(3):413-21.

pubmed_id:11865086

[2]:

reference_text:Fujita T, Amuro Y, Hada T, Higashino K: Plasma levels of pipecolic acid, both L- and D-enantiomers, in patients with chronic liver diseases, especially hepatic encephalopathy. Clin Chim Acta. 1999 Sep;287(1-2):99-109.

pubmed_id:10509899

[3]:

reference_text:Niwa T, Takeda N, Yoshizumi H: RNA metabolism in uremic patients: accumulation of modified ribonucleosides in uremic serum. Technical note. Kidney Int. 1998 Jun;53(6):1801-6.

pubmed_id:9607216

[4]:

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.

pubmed_id:7482520

[5]:

reference_text:Kai M, Miyazaki T, Ohkura Y: High-performance liquid chromatographic measurement of guanidino compounds of clinical importance in human urine and serum by pre-column fluorescence derivatization using benzoin. J Chromatogr. 1984 Nov 28;311(2):257-66.

pubmed_id:6520173

[6]:

reference_text:Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24.

pubmed_id:22626821

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reference_text:Psychogios N, Hau DD, Peng J, Guo AC, Mandal R, Bouatra S, Sinelnikov I, Krishnamurthy R, Eisner R, Gautam B, Young N, Xia J, Knox C, Dong E, Huang P, Hollander Z, Pedersen TL, Smith SR, Bamforth F, Greiner R, McManus B, Newman JW, Goodfriend T, Wishart DS: The human serum metabolome. PLoS One. 2011 Feb 16;6(2):e16957. doi: 10.1371/journal.pone.0016957.

pubmed_id:21359215

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reference_text:Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38.

pubmed_id:2026685

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reference_text:Hoppe B, Kemper MJ, Hvizd MG, Sailer DE, Langman CB: Simultaneous determination of oxalate, citrate and sulfate in children's plasma with ion chromatography. Kidney Int. 1998 May;53(5):1348-52.

pubmed_id:9573551

[10]:

reference_text:Bouatra S, Aziat F, Mandal R, Guo AC, Wilson MR, Knox C, Bjorndahl TC, Krishnamurthy R, Saleem F, Liu P, Dame ZT, Poelzer J, Huynh J, Yallou FS, Psychogios N, Dong E, Bogumil R, Roehring C, Wishart DS: The human urine metabolome. PLoS One. 2013 Sep 4;8(9):e73076. doi: 10.1371/journal.pone.0073076. eCollection 2013.

pubmed_id:24023812

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reference_text:Ogawa Y, Machida N, Jahana M, Gakiya M, Chinen Y, Oda M, Morozumi M, Sugaya K: Major factors modulating the serum oxalic acid level in hemodialysis patients. Front Biosci. 2004 Sep 1;9:2901-8.

pubmed_id:15353324

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reference_text:Guo K, Li L: Differential 12C-/13C-isotope dansylation labeling and fast liquid chromatography/mass spectrometry for absolute and relative quantification of the metabolome. Anal Chem. 2009 May 15;81(10):3919-32. doi: 10.1021/ac900166a.

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reference_text:Guneral F, Bachmann C: Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin Chem. 1994 Jun;40(6):862-6.

pubmed_id:8087979

[14]:

reference_text:Paul BD, Smith ML: Cyanide and thiocyanate in human saliva by gas chromatography-mass spectrometry. J Anal Toxicol. 2006 Oct;30(8):511-5.

pubmed_id:17132244

[15]:

reference_text:Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x.

pubmed_id:12675874

[16]:

reference_text:Merck Manual of Diagnosis and Therapy.

pubmed_id:

[17]:

reference_text:David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971

pubmed_id:

[18]:

reference_text:Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.

pubmed_id:

[19]:

reference_text:Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.

pubmed_id:

[20]:

reference_text:National Health and Nutrition Examination Survey (NHANES Survey) 2013

pubmed_id:

[21]:

reference_text:Geigy Scientific Tables, 8th Rev edition, pp. 80-82. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.

pubmed_id:

4:

name:Irritable bowel syndrome

omim_id:

[1]:

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

pubmed_id:9505884

[2]:

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

[3]:

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

pubmed_id:21330412

[4]:

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

[5]:

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

pubmed_id:21494186

[6]:

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.

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[7]:

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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.

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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.

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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.

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

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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.

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omim_id:114500

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omim_id:266600

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pubmed_id:17269711

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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

8:

name:Attachment loss

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

9:

name:Missing teeth

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

10:

name:Periodontal Probing Depth

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

11:

name:Prosthesis/Missing teeth

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

12:

name:Supragingival Calculus

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

13:

name:Supragingival Plaque

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

14:

name:Tooth Decay

omim_id:

[1]:

reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.

pubmed_id:31026179

15:

name:Phenylketonuria

omim_id:261600

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

pubmed_id:

16:

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号
C07086
DrugBank数据库编号
DB09269
foodb数据库编号
FDB031100
ChemSpider数据库编号
10181341
公共化学化合物编号
999
PDB数据库编号
生物利益的化学实体数据库编号
30745
knapsack数据库编号
C00000750
维基百科编号
Phenylacetic_acid
代谢途径的数据库编号
PHENYLACETATE
苯酚资源管理器化合物数据库编号
比格数据库编号
1486426
梅林编号
129
虚拟机身份证编号
PAC
fbonto数据库编号
综合参考
Zhou, Shu-jing; Li, Jin-lian; Luan, Fang. New synthetic method for benzeneacetic acid. Huaxue Yu Shengwu Gongcheng (2005), 22(2), 43-44.
一般参考
1:

protein_accession:HMDBP00292

name:Aldehyde dehydrogenase, dimeric NADP-preferring

uniprot_id:P30838

gene_name:ALDH3A1

protein_type:Unknown

2:

protein_accession:HMDBP00294

name:Aldehyde dehydrogenase family 1 member A3

uniprot_id:P47895

gene_name:ALDH1A3

protein_type:Unknown

3:

protein_accession:HMDBP00483

name:UDP-glucuronosyltransferase 1-1

uniprot_id:P22309

gene_name:UGT1A1

protein_type:Enzyme

4:

protein_accession:HMDBP00541

name:Aldehyde dehydrogenase family 3 member B2

uniprot_id:P48448

gene_name:ALDH3B2

protein_type:Unknown

5:

protein_accession:HMDBP00542

name:Aldehyde dehydrogenase family 3 member B1

uniprot_id:P43353

gene_name:ALDH3B1

protein_type:Unknown

蛋白质结合
1:

reference_text:Jankowski J, van der Giet M, Jankowski V, Schmidt S, Hemeier M, Mahn B, Giebing G, Tolle M, Luftmann H, Schluter H, Zidek W, Tepel M: Increased plasma phenylacetic acid in patients with end-stage renal failure inhibits iNOS expression. J Clin Invest. 2003 Jul;112(2):256-64.

pubmed_id:12865413

2:

reference_text:Pontoni G, Rotondo F, Spagnuolo G, Aurino MT, Carteni-Farina M, Zappia V, Lama G: Diagnosis and follow-up of cystinuria: use of proton magnetic resonance spectroscopy. Amino Acids. 2000;19(2):469-76.

pubmed_id:11128553

3:

reference_text:Rubin A, Knadler MP, Ho PP, Bechtol LD, Wolen RL: Stereoselective inversion of (R)-fenoprofen to (S)-fenoprofen in humans. J Pharm Sci. 1985 Jan;74(1):82-4.

pubmed_id:3920382

4:

reference_text:Davis BA, Kennedy SH, D'Souza J, Durden DA, Goldbloom DS, Boulton AA: Correlations of plasma and urinary phenylacetic acid and phenylethylamine concentrations with eating behavior and mood rating scores in brofaromine-treated women with bulimia nervosa. J Psychiatry Neurosci. 1994 Jul;19(4):282-8.

pubmed_id:7918350

5:

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pubmed_id:11129502

6:

reference_text:Ostergaard J, Larsen C: Bioreversible derivatives of phenol. 2. Reactivity of carbonate esters with fatty acid-like structures towards hydrolysis in aqueous solutions. Molecules. 2007 Oct 30;12(10):2396-412.

pubmed_id:17978765

7:

reference_text:Lorentz K, Flatter B, Augustin E: Arylesterase in serum: elaboration and clinical application of a fixed-incubation method. Clin Chem. 1979 Oct;25(10):1714-20.

pubmed_id:476920

8:

reference_text:Sabelli HC, Fawcett J, Gusovsky F, Javaid J, Edwards J, Jeffriess H: Urinary phenyl acetate: a diagnostic test for depression? Science. 1983 Jun 10;220(4602):1187-8.

pubmed_id:6857245

9:

reference_text:Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24.

pubmed_id:22626821

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