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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

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

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

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of hepatic and extrahepatic glutathione S-transferases by primary and secondary bile acids.
1986 Jan 15
Selective activity of several cholic acid derivatives against human immunodeficiency virus replication in vitro.
1989
Inhibition of MRP1-mediated efflux in human erythrocytes by mono-anionic bile salts.
2005 Sep-Oct
Structural determinants of monohydroxylated bile acids to activate beta 1 subunit-containing BK channels.
2008 Nov
Pharmacokinetics of oral taurine in healthy volunteers.
2010
Substance Class Chemical
Created
by admin
on Tue Mar 06 15:18:11 UTC 2018
Edited
by admin
on Tue Mar 06 15:18:11 UTC 2018
Record UNII
0ENK5NMI1I
Record Status Validated (UNII)
Record Version
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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
CAS
34669-57-3
Created by admin on Tue Mar 06 15:18:11 UTC 2018 , Edited by admin on Tue Mar 06 15:18:11 UTC 2018
PRIMARY
PUBCHEM
451489
Created by admin on Tue Mar 06 15:18:11 UTC 2018 , Edited by admin on Tue Mar 06 15:18:11 UTC 2018
PRIMARY SWITZERF
Related Record Type Details
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