TAUROCHOLIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO7S
Molecular Weight	515.703
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TAUROCHOLIC ACID

Structure Search

SMILES

[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

InChIKey=WBWWGRHZICKQGZ-HZAMXZRMSA-N

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

HIDE SMILES / InChI

Molecular Formula	C26H45NO7S
Molecular Weight	515.703
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:25:35 UTC 2023` Edited by `admin` on `Fri Dec 15 18:25:35 UTC 2023`
Record UNII	5E090O0G3Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAUROCHOLIC ACID

Common Name

English

CHOLYLTAURINE

Common Name

English

3.BETA.-HYDROXYDINOR-5-CHOLENIC ACID

Systematic Name

English

CHOLAIC ACID

Common Name

English

TAUROCHOLIC ACID [HSDB]

Common Name

English

2-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID

Common Name

English

NSC-25505

Code

English

TAUROCHOLIC ACID [MI]

Common Name

English

N-CHOLOYLTAURINE

Common Name

English

Code System Code Type Description

FDA UNII

5E090O0G3Z

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

CHEBI

28865

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

NSC

25505

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

MESH

D013656

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

PUBCHEM

6675

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

MERCK INDEX

m10482

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

TAUROCHOLIC ACID

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

CAS

81-24-3

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

EPA CompTox

DTXSID00883259

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

DRUG BANK

DB04348

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

ECHA (EC/EINECS)

201-336-2

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

HSDB

832

Created by admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023

PRIMARY

Related Record Type Details


					1YV0492L5Z

MRP-3

TRANSPORTER -> INHIBITOR


					M6N3TH81NO

SODIUM TAUROCHOLATE

SALT/SOLVATE -> PARENT


					0ZGFTBKJ9A

SODIUM/BILE ACID COTRANSPORTER

TRANSPORTER -> SUBSTRATE


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR


					5I7WUL2E3O

TAUROCHOLIC ACID 24C-14

LABELED -> NON-LABELED


					570V991KGQ

SOLUTE CARRIER FAMILY 21 MEMBER 3

TRANSPORTER -> SUBSTRATE


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE


					5ZU91PFW8G

POTASSIUM TAUROCHOLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					5E090O0G3Z

TAUROCHOLIC ACID

ACTIVE MOIETY