人类代谢组数据库

版本

5.0

创建日期

2005-11-16 15:48:42 UTC

更新日期

2021-09-14 15:19:05 UTC

登录号

HMDB0000036

地位

quantified

二级访问

HMDB00036

名称

Taurocholic acid

描述

Taurocholic acid is a bile acid and is the product of the conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine, and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH, and consequently require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). Taurocholic acid, as with all bile acids, acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic (a bile purging agent). Hydrolysis of taurocholic acid yields taurine, a nonessential amino acid. Taurocholic acid is one of the main components of urinary nonsulfated bile acids in biliary atresia. Raised levels of taurocholate in fetal serum in obstetric cholestasis may result in the development of a fetal dysrhythmia and sudden intra-uterine death (PMID: 3944741, 11256973).

同义词

1:3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine

2:Cholic acid taurine conjugate

3:Choloyl-taurine

4:Cholyltaurine

5:N-Choloyltaurine

6:Taurocholate

7:3a,7a,12a-Trihydroxy-5b-cholanate 24-taurine

8:3a,7a,12a-Trihydroxy-5b-cholanic acid 24-taurine

9:3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 24-taurine

10:3Α,7α,12α-trihydroxy-5β-cholanate 24-taurine

11:3Α,7α,12α-trihydroxy-5β-cholanic acid 24-taurine

12:Cholate taurine conjugate

13:Cholic acid taurine conjugic acid

14:Cholaic acid

15:Cholaate

16:Taurine cholate

17:Taurocholic acid, (7 beta)-isomer

18:Taurocholic acid, (5 alpha)-isomer

化学式

C26H45NO7S

平均分子量

515.703

等位分子量

515.291673489

化学名称

2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

传统名称

2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethanesulfonic acid

CAS 登记号

81-24-3

代谢物结构字符串

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O

inchi标识符

InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

印记键

WBWWGRHZICKQGZ-HZAMXZRMSA-N

分类学

description: belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.

description:Trihydroxy bile acids, alcohols and derivatives

kingdom:Organic compounds

super_class:Lipids and lipid-like molecules

class:Steroids and steroid derivatives

sub_class:Bile acids, alcohols and derivatives

molecular_framework:Aliphatic homopolycyclic compounds

1:12-hydroxysteroids

2:3-alpha-hydroxysteroids

3:7-hydroxysteroids

4:Alkanesulfonic acids

5:Carboximidic acids

6:Cyclic alcohols and derivatives

7:Hydrocarbon derivatives

8:Organic oxides

9:Organonitrogen compounds

10:Organopnictogen compounds

11:Organosulfonic acids

12:Polyols

13:Propargyl-type 1,3-dipolar organic compounds

14:Secondary alcohols

15:Sulfonyls

16:12-hydroxysteroid

17:3-alpha-hydroxysteroid

18:3-hydroxysteroid

19:7-hydroxysteroid

20:Alcohol

21:Aliphatic homopolycyclic compound

22:Alkanesulfonic acid

23:Carboximidic acid

24:Carboximidic acid derivative

25:Cyclic alcohol

26:Hydrocarbon derivative

27:Hydroxysteroid

28:Organic 1,3-dipolar compound

29:Organic nitrogen compound

30:Organic oxide

31:Organic oxygen compound

32:Organic sulfonic acid or derivatives

33:Organonitrogen compound

34:Organooxygen compound

35:Organopnictogen compound

36:Organosulfonic acid

37:Organosulfonic acid or derivatives

38:Organosulfur compound

39:Polyol

40:Propargyl-type 1,3-dipolar organic compound

41:Secondary alcohol

42:Sulfonyl

43:Trihydroxy bile acid, alcohol, or derivatives

44:Taurine conjugates

45:amino sulfonic acid

46:bile acid taurine conjugate

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:Hepatobiliary disorders

definition:Any disorder (non-neoplastic or neoplastic) that affects the liver and the biliary system.

parent_id:7695

***level:4

type:parent

term:Disposition

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

parent_id:

level:1

type:parent

term:Route of exposure

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

parent_id:7724

*level:2

type:parent

term:Enteral

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

parent_id:7743

**level:3

type:parent

term:Ingestion

definition:Chemical exposure facilitated by entry through the mouth.

parent_id:7744

***level:4

type:child

synonym:Digestion

term:Source

definition:Natural or synthetic origin of a chemical.

parent_id:7724

*level:2

type:parent

term:Endogenous

definition:

parent_id:7735

**level:3

type:child

term:Food

definition:

parent_id:7735

**level:3

type:child

term:Biological

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

parent_id:7735

**level:3

type:parent

term:Animal

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

parent_id:7736

***level:4

type:child

synonym:Fauna

term:Biological location

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

parent_id:7724

*level:2

type:parent

term:Tissue and substructures

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

parent_id:7725

**level:3

type:parent

term:Hepatic tissue

definition:The tissue of the liver. It includes the hepatic lobules, hepatic sinusoids, perisinusoidal spaces, and portal triad. The hepatic lobules are composed of hepatocytes. (NCI Thesaurus).

parent_id:7729

***level:4

type:child

synonym:Liver tissue

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:Subcellular

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

parent_id:7725

**level:3

type:parent

term:Myelin sheath

definition:A layer of phospholipids and protein found on neuronal axons. this structure acts as an electrical insulator that allows nerve impulses to travel faster by increasing the resistance and decreasing the capacitance over that found in unmyelinated nerve fibers. (nci).

parent_id:7730

***level:4

type:child

synonym:Myelin

term:Cell membrane

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

parent_id:7730

***level:4

type:child

synonym:Cellular membrane

term: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: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:Intestine

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

parent_id:7727

***level:4

type:child

term:Liver

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

parent_id:7727

***level:4

type:child

term:Cell and elements

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

parent_id:7725

**level:3

type:parent

term:Extracellular

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

parent_id:7732

***level:4

type:child

synonym:Extracellular region

term:Cell

definition:

parent_id:7732

***level:4

type:parent

term:Biofluid and excreta

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

parent_id:7725

**level:3

type:parent

term:Bile

definition:Fluid composed of waste products, bile acids, salts, cholesterol, and electrolytes. it is secreted by the liver parenchyma and stored in the gallbladder. (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:Process

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

parent_id:

level:1

type:parent

term:Naturally occurring process

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

parent_id:7659

*level:2

type:parent

term:Biological process

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

parent_id:7660

**level:3

type:parent

term:Biochemical process

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

parent_id:7661

***level:4

type:parent

term:Chemical reaction

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

parent_id:7661

***level:4

type:parent

term:Cellular process

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

parent_id:7661

***level:4

type:parent

term:Biochemical pathway

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

parent_id:7661

***level:4

type:parent

term:Role

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

parent_id:

level:1

type:parent

term: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:Membrane stabilizer

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

parent_id:7672

**level:3

type:child

synonym:Membrane stability agent

synonym:Membrane integrity agent

term:Energy source

definition:

parent_id:7672

**level:3

type:child

term:Energy storage

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

parent_id:7672

**level:3

type:child

term:Molecular messenger

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

parent_id:7672

**level:3

type:parent

term:Hormone

definition:Substances produces in animals or plant that regulate the activity of certain organs or control processes in other parts of the plant.

parent_id:7677

***level:4

type:child

term:Signaling molecule

definition:A chemical substance that particpiates in signal transduction processes in a living cell.

parent_id:7677

***level:4

type:child

synonym:Signalling molecule

synonym:Signaling agent

synonym:Cell signaling agent

term:Industrial application

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

parent_id:7671

*level:2

type:parent

term:Surfactant

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

parent_id:7678

**level:3

type:child

synonym:Surface-active agent

term:Emulsifier

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

parent_id:7678

**level:3

type:child

状态

Solid

实验性质

kind:melting_point

value:125 °C

source:

预测性质

kind:logp

value:0.79

source:ALOGPS

kind:logs

value:-3.83

source:ALOGPS

kind:solubility

value:0.077 g/L

source:ALOGPS

kind:logp

value:-0.24

source:ChemAxon

kind:pka_strongest_acidic

value:-0.88

source:ChemAxon

kind:pka_strongest_basic

value:-0.053

source:ChemAxon

kind:iupac

value:2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

source:ChemAxon

kind:average_mass

value:515.703

source:ChemAxon

kind:mono_mass

value:515.291673489

source:ChemAxon

10:

kind:smiles

value:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O

source:ChemAxon

11:

kind:formula

value:C26H45NO7S

source:ChemAxon

12:

kind:inchi

value:InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

source:ChemAxon

13:

kind:inchikey

value:WBWWGRHZICKQGZ-HZAMXZRMSA-N

source:ChemAxon

14:

kind:polar_surface_area

value:144.16

source:ChemAxon

15:

kind:refractivity

value:132.19

source:ChemAxon

16:

kind:polarizability

value:57.36

source:ChemAxon

17:

kind:rotatable_bond_count

value:7

source:ChemAxon

18:

kind:acceptor_count

value:7

source:ChemAxon

19:

kind:donor_count

value:5

source:ChemAxon

20:

kind:physiological_charge

value:-1

source:ChemAxon

21:

kind:formal_charge

value:0

source:ChemAxon

22:

kind:number_of_rings

value:4

source:ChemAxon

23:

kind:bioavailability

value:Yes

source:ChemAxon

24:

kind:rule_of_five

value:No

source:ChemAxon

25:

kind:ghose_filter

value:No

source:ChemAxon

26:

kind:veber_rule

value:No

source:ChemAxon

27:

kind:mddr_like_rule

value:Yes

source:ChemAxon

光谱

生物学性质

cellular:(1):Extracellular

biospecimen:(1):Bile

biospecimen:(2):Blood

biospecimen:(3):Feces

biospecimen:(4):Urine

tissue:(1):Fibroblasts

tissue:(2):Intestine

tissue:(3):Liver

tissue:(4):Neuron

tissue:(5):Placenta

[1]:

name:27-Hydroxylase Deficiency

smpdb_id:SMP00720

kegg_map_id:

[2]:

name:Cerebrotendinous Xanthomatosis (CTX)

smpdb_id:SMP00315

kegg_map_id:

[3]:

name:Congenital Bile Acid Synthesis Defect Type II

smpdb_id:SMP00314

kegg_map_id:

[4]:

name:Congenital Bile Acid Synthesis Defect Type III

smpdb_id:SMP00318

kegg_map_id:

[5]:

name:Familial Hypercholanemia (FHCA)

smpdb_id:SMP00317

kegg_map_id:

[6]:

name:Primary bile acid biosynthesis

smpdb_id:

kegg_map_id:map00120

[7]:

name:Zellweger Syndrome

smpdb_id:SMP00316

kegg_map_id:

正常浓度

biospecimen:Bile

concentration_value:9910 (9600-10220)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:0.38 +/- 0.20

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:0.1(0.1-0.5)

concentration_units:uM

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:5.78 +/- 4.32

concentration_units:nmol/g dry feces

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (6 - 18 years old)

subject_sex:Not Specified

subject_condition:Normal

11:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

12:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

异常浓度

biospecimen:Blood

concentration_value:9.8 +/- 1.9

concentration_units:uM

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:GI disorder

biospecimen:Blood

concentration_value:5.6 +/- 1.6

concentration_units:uM

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:GI disorder

biospecimen:Blood

concentration_value:1.2 +/- 0.5

concentration_units:uM

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:GI disorder

biospecimen:Blood

concentration_value:0.2 +/- 0.1

concentration_units:uM

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:GI disorder

biospecimen:Blood

concentration_value:0.8(0.3-2.7)

concentration_units:uM

patient_age:Infant (0-1 year old)

patient_sex:Both

patient_information:Severe acute malnutrition

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Hepatocellular carcinoma

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Liver Cirrhosis

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:CCD

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Ileal Crohn's disease

10:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Metastatic melanoma

12:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Recurrent Clostridium difficile infection

13:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Not Specified

patient_sex:Not Specified

patient_information:Recurrent Clostridium difficile infection

14:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Clostridium difficile infection

15:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

16:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Crohns disease

17:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Ulcerative colitis

18:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Unclassified IBD

19:

biospecimen:Urine

concentration_value:0.15 +/- 0.087

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Biliary atresia

疾病参考

name:Hepatocellular carcinoma

omim_id:114550

[1]:

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

[2]:

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name:Cirrhosis

omim_id:

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name:Colorectal cancer

omim_id:114500

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

name:Crohn's disease

omim_id:266600

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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: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

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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

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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

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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.

pubmed_id:23867873

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pubmed_id:24811995

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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.

pubmed_id:26806034

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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.

pubmed_id:26848182

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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.

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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.

pubmed_id:28842642

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.

pubmed_id:21059682

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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]:

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[4]:

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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]:

pubmed_id:23516449

[7]:

pubmed_id:23867873

[8]:

pubmed_id:24811995

[9]:

pubmed_id:25598765

[10]:

pubmed_id:26806034

[11]:

pubmed_id:26848182

[12]:

pubmed_id:27609529

[13]:

pubmed_id:28842642

name:Metastatic melanoma

omim_id:

[1]:

reference_text:Frankel AE, Coughlin LA, Kim J, Froehlich TW, Xie Y, Frenkel EP, Koh AY: Metagenomic Shotgun Sequencing and Unbiased Metabolomic Profiling Identify Specific Human Gut Microbiota and Metabolites Associated with Immune Checkpoint Therapy Efficacy in Melanoma Patients. Neoplasia. 2017 Oct;19(10):848-855. doi: 10.1016/j.neo.2017.08.004. Epub 2017 Sep 15.

pubmed_id:28923537

name:Biliary atresia

omim_id:210500

[1]:

reference_text:Ukarapol N, Wongsawasdi L, Ong-Chai S, Riddhiputra P, Kongtawelert P: Hyaluronic acid: additional biochemical marker in the diagnosis of biliary atresia. Pediatr Int. 2007 Oct;49(5):608-11.

pubmed_id:17875085

[2]:

reference_text:Gustafsson J, Alvelius G, Bjorkhem I, Nemeth A: Bile acid metabolism in extrahepatic biliary atresia: lithocholic acid in stored dried blood collected at neonatal screening. Ups J Med Sci. 2006;111(1):131-6.

pubmed_id:16553252

[3]:

reference_text:Matsui A, Psacharopoulos HT, Mowat AP, Portmann B, Murphy GM: Radioimmunoassay of serum glycocholic acid, standard laboratory tests of liver function and liver biopsy findings: comparative study of children with liver disease. J Clin Pathol. 1982 Sep;35(9):1011-7.

pubmed_id:7119120

[4]:

reference_text:Nittono H, Obinata K, Nakatsu N, Watanabe T, Niijima S, Sasaki H, Arisaka O, Kato H, Yabuta K, Miyano T: Sulfated and nonsulfated bile acids in urine of patients with biliary atresia: analysis of bile acids by high-performance liquid chromatography. J Pediatr Gastroenterol Nutr. 1986 Jan;5(1):23-9.

pubmed_id:3944741

[5]:

reference_text:Makino I, Sjovall J, Norman A, Strandvik B: Excretion of 3beta-hydroxy-5-cholenoic and 3a-hydroxy-5a-cholanoic acids in urine of infants with biliary atresia. FEBS Lett. 1971 Jun 10;15(2):161-164.

pubmed_id:11945837

KEGG数据库编号

C05122

DrugBank数据库编号

DB04348

foodb数据库编号

FDB012335

ChemSpider数据库编号

6423

公共化学化合物编号

6675

PDB数据库编号

生物利益的化学实体数据库编号

28865

knapsack数据库编号

维基百科编号

Taurocholic_acid

代谢途径的数据库编号

苯酚资源管理器化合物数据库编号

比格数据库编号

45150

梅林编号

5104

虚拟机身份证编号

TCHOLA

fbonto数据库编号

综合参考

Schersten, Tore; Bjorntorp, Per; Ekdahi, Per H.; Bjorkerud, Soren. Synthesis of taurocholic and glycocholic acids by preparations of human liver. II. An analysis of the stimulating effect of the L fraction. Biochimica et Biophysica Acta, General Subjects (1967), 141(1), 155-63.

一般参考

protein_accession:HMDBP00241

name:Bile salt-activated lipase

uniprot_id:P19835

gene_name:CEL

protein_type:Unknown

protein_accession:HMDBP00446

name:Solute carrier organic anion transporter family member 1B3

uniprot_id:Q9NPD5

gene_name:SLCO1B3

protein_type:Transporter

protein_accession:HMDBP00451

name:Solute carrier organic anion transporter family member 1C1

uniprot_id:Q9NYB5

gene_name:SLCO1C1

protein_type:Transporter

protein_accession:HMDBP00454

name:Solute carrier organic anion transporter family member 1B1

uniprot_id:Q9Y6L6

gene_name:SLCO1B1

protein_type:Transporter

protein_accession:HMDBP00502

name:Cholesterol 7-alpha-monooxygenase

uniprot_id:P22680

gene_name:CYP7A1

protein_type:Unknown

protein_accession:HMDBP00549

name:Bile acid-CoA:amino acid N-acyltransferase

uniprot_id:Q14032

gene_name:BAAT

protein_type:Enzyme

protein_accession:HMDBP01111

name:Monocarboxylate transporter 1

uniprot_id:P53985

gene_name:SLC16A1

protein_type:Transporter

protein_accession:HMDBP01658

name:Canalicular multispecific organic anion transporter 1

uniprot_id:Q92887

gene_name:ABCC2

protein_type:Transporter

protein_accession:HMDBP01858

name:Multidrug resistance-associated protein 1

uniprot_id:P33527

gene_name:ABCC1

protein_type:Transporter

10:

protein_accession:HMDBP02021

name:Solute carrier organic anion transporter family member 2B1

uniprot_id:O94956

gene_name:SLCO2B1

protein_type:Transporter

11:

protein_accession:HMDBP02040

name:Canalicular multispecific organic anion transporter 2

uniprot_id:O15438

gene_name:ABCC3

protein_type:Transporter

12:

protein_accession:HMDBP02052

name:Bile salt export pump

uniprot_id:O95342

gene_name:ABCB11

protein_type:Transporter

13:

protein_accession:HMDBP02101

name:Multidrug resistance protein 1

uniprot_id:P08183

gene_name:ABCB1

protein_type:Transporter

14:

protein_accession:HMDBP02257

name:ATP-binding cassette sub-family G member 2

uniprot_id:Q9UNQ0

gene_name:ABCG2

protein_type:Transporter

15:

protein_accession:HMDBP02461

name:Ileal sodium/bile acid cotransporter

uniprot_id:Q12908

gene_name:SLC10A2

protein_type:Transporter

16:

protein_accession:HMDBP02550

name:Sodium/bile acid cotransporter

uniprot_id:Q14973

gene_name:SLC10A1

protein_type:Transporter

17:

protein_accession:HMDBP02574

name:Solute carrier family 22 member 1

uniprot_id:O15245

gene_name:SLC22A1

protein_type:Transporter

18:

protein_accession:HMDBP02683

name:Solute carrier organic anion transporter family member 1A2

uniprot_id:P46721

gene_name:SLCO1A2

protein_type:Transporter

19:

protein_accession:HMDBP03202

name:Solute carrier organic anion transporter family member 4A1

uniprot_id:Q96BD0

gene_name:SLCO4A1

protein_type:Transporter

20:

protein_accession:HMDBP03952

name:Multidrug resistance-associated protein 4

uniprot_id:O15439

gene_name:ABCC4

protein_type:Transporter

21:

protein_accession:HMDBP05562

name:Solute carrier organic anion transporter family member 3A1

uniprot_id:Q9UIG8

gene_name:SLCO3A1

protein_type:Transporter

22:

protein_accession:HMDBP07986

name:Solute carrier family 22 member 6

uniprot_id:Q4U2R8

gene_name:SLC22A6

protein_type:Transporter

23:

protein_accession:HMDBP08104

name:ATP-binding cassette sub-family C member 11

uniprot_id:Q96J66

gene_name:ABCC11

protein_type:Transporter

24:

protein_accession:HMDBP09119

name:Gastrotropin

uniprot_id:P51161

gene_name:FABP6

protein_type:Unknown

蛋白质结合

reference_text:van Montfoort JE, Muller M, Groothuis GM, Meijer DK, Koepsell H, Meier PJ: Comparison of "type I" and "type II" organic cation transport by organic cation transporters and organic anion-transporting polypeptides. J Pharmacol Exp Ther. 2001 Jul;298(1):110-5.

pubmed_id:11408531

reference_text:Rius M, Nies AT, Hummel-Eisenbeiss J, Jedlitschky G, Keppler D: Cotransport of reduced glutathione with bile salts by MRP4 (ABCC4) localized to the basolateral hepatocyte membrane. Hepatology. 2003 Aug;38(2):374-84.

pubmed_id:12883481

reference_text:Hoekman MF, Rientjes JM, Twisk J, Planta RJ, Princen HM, Mager WH: Transcriptional regulation of the gene encoding cholesterol 7 alpha-hydroxylase in the rat. Gene. 1993 Aug 25;130(2):217-23.

pubmed_id:8359688

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reference_text:The lipid handbook with CD-ROM

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