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

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