SULFOLITHOCHOLIC ACID

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 Search

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

Molecular Formula	C24H40O6S
Molecular Weight	456.636
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Inhibition of hepatic and extrahepatic glutathione S-transferases by primary and secondary bile acids.	1986 Jan 15	3954743
Selective activity of several cholic acid derivatives against human immunodeficiency virus replication in vitro.	1989	2470892
Inhibition of MRP1-mediated efflux in human erythrocytes by mono-anionic bile salts.	2005 Sep-Oct	16101123
Structural determinants of monohydroxylated bile acids to activate beta 1 subunit-containing BK channels.	2008 Nov	18650555
Pharmacokinetics of oral taurine in healthy volunteers.	2010	22331997

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:46 UTC 2023` Edited by `admin` on `Sat Dec 16 10:47:46 UTC 2023`
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

FDA UNII

0ENK5NMI1I