U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H45NO7SSe
Molecular Weight 594.66
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAUROSELCHOLIC ACID

SMILES

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

InChI

InChIKey=JCMLWGQJPSGGEI-HZAMXZRMSA-N
InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(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

Approval Year

Name Type Language
SEHCAT
Preferred Name English
TAUROSELCHOLIC ACID
INN   WHO-DD  
INN  
Official Name English
N-((((20S)-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIHYDROXY-20-METHYL-5.BETA.-PREGNAN-21-YL)SELENYL)ACETYL)TAURINE
Common Name English
tauroselcholic acid [INN]
Common Name English
Tauroselcholic acid [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1446
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
Code System Code Type Description
PUBCHEM
3086012
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
INN
5577
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
NCI_THESAURUS
C152519
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
WIKIPEDIA
SeHCAT
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
CAS
75018-71-2
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
SMS_ID
100000082428
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
EVMPD
SUB10839MIG
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID701028204
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY
FDA UNII
H6630PU5ZJ
Created by admin on Mon Mar 31 18:28:20 GMT 2025 , Edited by admin on Mon Mar 31 18:28:20 GMT 2025
PRIMARY