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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O6S
Molecular Weight 456.636
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFOLITHOCHOLIC ACID

SMILES

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

InChI

InChIKey=AXDXVEYHEODSPN-HVATVPOCSA-N
InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Pharmacokinetics of oral taurine in healthy volunteers.
2010
Name Type Language
SULFOLITHOCHOLIC ACID
Common Name English
(3.ALPHA.,5.BETA.)-3-(SULFOOXY)CHOLAN-24-OIC ACID
Systematic Name English
LITHOCHOLIC ACID, 3-SULFATE
Common Name English
(4R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-DIMETHYL-3-SULFOOXY-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOIC ACID
Common Name English
LITHOCHOLIC ACID SULFATE
Common Name English
3-HYDROXY-CHOLAN-24-OIC ACID, 3-SULFATE (3-.ALPHA., 5-.BETA.)
Common Name English
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-DIMETHYL-3-(SULFOOXY)HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOIC ACID
Common Name English
LITHOCHOLIC ACID 3-O-SULFATE
Common Name English
LITHOCHOLIC ACID 3.ALPHA.-SULFATE
Common Name English
3.ALPHA.-SULFATE-5.BETA.-CHOLAN-24-OIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3-(SULFOOXY)-, (3.ALPHA.,5.BETA.)-
Common Name English
3.ALPHA.-SULFOOXY-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
0ENK5NMI1I
Created by admin on Sat Dec 16 10:47:46 GMT 2023 , Edited by admin on Sat Dec 16 10:47:46 GMT 2023
PRIMARY
CHEBI
35421
Created by admin on Sat Dec 16 10:47:46 GMT 2023 , Edited by admin on Sat Dec 16 10:47:46 GMT 2023
PRIMARY
CAS
34669-57-3
Created by admin on Sat Dec 16 10:47:46 GMT 2023 , Edited by admin on Sat Dec 16 10:47:46 GMT 2023
PRIMARY
PUBCHEM
451489
Created by admin on Sat Dec 16 10:47:46 GMT 2023 , Edited by admin on Sat Dec 16 10:47:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID901043664
Created by admin on Sat Dec 16 10:47:46 GMT 2023 , Edited by admin on Sat Dec 16 10:47:46 GMT 2023
PRIMARY