SULFOLITHOCHOLYLGLYCINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H43NO7S
Molecular Weight	513.687
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)NCC(O)=O

InChI

InChIKey=FHXBAFXQVZOILS-OETIFKLTSA-N

InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H43NO7S
Molecular Weight	513.687
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:22 GMT 2023` Edited by `admin` on `Sat Dec 16 09:51:22 GMT 2023`
Record UNII	ZH5HPJ9WHW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFOLITHOCHOLYLGLYCINE

Common Name

English

N-(3.ALPHA.-(SULFONATOOXY)-5.BETA.-CHOLAN-24-OYL)GLYCINE

Common Name

English

SULFOLITHOGLYCOCHOLINE

Common Name

English

N-((3.ALPHA.,5.BETA.)-24-OXO-3-(SULFOOXY)CHOLAN-24-YL)GLYCINE

Systematic Name

English

3.ALPHA.-HYDROXY-5.BETA.-CHOLANOYLGLYCINE 3-SULFATE

Common Name

English

CHEBI:9347

Code

English

GLYCOLITHOCHOLATE 3-SULFATE

Common Name

English

GLYCINE, N-(3.ALPHA.-HYDROXY-5.BETA.-CHOLAN-24-OYL)-, HYDROGEN SULFATE

Common Name

English

GLYCOLITHOCHOLIC ACID SULFATE

Common Name

English

GLYCOLITHOCHOLIC ACID 3.ALPHA.-SULFATE

Common Name

English

GLYCINE, N-((3.ALPHA.,5.BETA.)-24-OXO-3-(SULFOOXY)CHOLAN-24-YL)-

Systematic Name

English

GLYCOLITHOCHOLIC ACID 3-SULFATE

Common Name

English

SULFOGLYCOLITHOCHOLIC ACID

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90934709