taurochenodeoxycholic acid (Q7688892)

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chemical compound

taurochenodeoxycholate
TCDCA
taurine chenodeoxycholate
Chenodeoxycholoyltaurine
12-Desoxycholyltaurine
N-(3a,7a-Dihydroxy-5b-cholan-24-oyl)-Taurine
Taurochenodesoxycholate
Chenyltaurine
Chenodeoxycholyltaurine
12-Deoxycholyltaurine
3a,7a-Dihydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide
2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

Language	Label	Description	Also known as
English	taurochenodeoxycholic acid	chemical compound	taurochenodeoxycholate TCDCA taurine chenodeoxycholate Chenodeoxycholoyltaurine 12-Desoxycholyltaurine N-(3a,7a-Dihydroxy-5b-cholan-24-oyl)-Taurine Taurochenodesoxycholate Chenyltaurine Chenodeoxycholyltaurine 12-Deoxycholyltaurine 3a,7a-Dihydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

Statements

type of chemical entity

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1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

chemical structure

Taurochenodeoxycholic acid.svg
512 × 234; 37 KB

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499.297 dalton

1 reference

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

stereoisomer of

tauroursodeoxycholic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₅NO₆S

1 reference

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

1 reference

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

isomeric SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

1 reference

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

3 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

Primary bile acids as potential biomarkers for the clinical grading of intrahepatic cholestasis of pregnancy

subject has role

cholagogues and choleretics

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

primary metabolite

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Commons category

Taurochenodeoxycholic acid

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Identifiers

InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

1 reference

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

BHTRKEVKTKCXOH-BJLOMENOSA-N

2 references

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

taurochenodeoxycholic acid (English)

19 October 2016

BHTRKEVKTKCXOH-BJLOMENOSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=516-35-8

1 reference

language of work or name

Taurochenodeoxycholic acid (English)

19 October 2016

2 references

language of work or name

TAUROCHENODEOXYCHOLIC ACID (English)

19 October 2016

matched by identifier from

BHTRKEVKTKCXOH-BJLOMENOSA-N

Reaxys registry number

3228311

1 reference

language of work or name

taurochenodeoxycholic acid (English)

19 October 2016

mapping relation type

2 references

language of work or name

taurochenodeoxycholic acid (English)

19 October 2016

ChEBI release 2019-10-02

1 reference

language of work or name

TAUROCHENODEOXYCHOLATE (English)

19 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHTRKEVKTKCXOH-BJLOMENOSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-BGC_Munich-RP005801

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MSBNK-BGC_Munich-RP005802

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MSBNK-BGC_Munich-RP005803

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MSBNK-Metabolon-MT000095

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MSBNK-Nihon_Univ-NU000773

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MSBNK-Nihon_Univ-NU000774

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MSBNK-Nihon_Univ-NU000775

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splash10-02ar-0006900000-53366e607f8bd2e50783

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Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

taurochenodeoxycholic acid (English)

19 October 2016

MeSH descriptor ID

subject named as

Taurochenodeoxycholic Acid

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D04.210.500.105.225.272.150.850

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D02.455.326.146.100.850.875.900.875

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D02.886.645.600.055.850.800.900.875

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D04.210.500.105.225.272.925.875

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D04.210.500.105.225.900.900.870

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D04.210.500.221.430.342.300.900

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D04.210.500.221.430.342.900.910

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D04.210.500.221.430.873.920.900

0 references

1 reference

6 July 2021

CAS no.: 516-35-8 (English)

Taurochenodeoxycholic acid (English)

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHTRKEVKTKCXOH-BJLOMENOSA-N

1 reference

matched by identifier from

BHTRKEVKTKCXOH-BJLOMENOSA-N

Probes And Drugs ID

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Microsoft Academic ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2B03 (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2B01 (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

5EPO (English)

19 October 2016

Sitelinks

Wikipedia(7 entries)

azbwiki تاوروچنودکسی کولیک اسید
bewiki Таўрахенадэзоксіхолевая кіслата
cswiki Kyselina taurochenodeoxycholová
enwiki Taurochenodeoxycholic acid
fawiki تاوروچنودکسی کولیک اسید
shwiki Taurohenodezoksiholinska kiselina
srwiki Taurohenodezoksiholinska kiselina

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Taurochenodeoxycholic acid

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