N-ACETYLGLUCOSAMINYL URSODEOXYCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H53NO9
Molecular Weight	595.7645
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYLGLUCOSAMINYL URSODEOXYCHOLIC ACID

Structure Search

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O

InChI

InChIKey=OJWRORNYMMWQQM-ISPNGHFPSA-N

InChI=1S/C32H53NO9/c1-16(5-8-25(37)38)20-6-7-21-26-22(10-12-32(20,21)4)31(3)11-9-19(36)13-18(31)14-23(26)41-30-27(33-17(2)35)29(40)28(39)24(15-34)42-30/h16,18-24,26-30,34,36,39-40H,5-15H2,1-4H3,(H,33,35)(H,37,38)/t16-,18+,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H53NO9
Molecular Weight	595.7645
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:13:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:13:41 GMT 2025`
Record UNII	6QF4KW8OG7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYLGLUCOSAMINYL URSODEOXYCHOLIC ACID

Common Name

English

(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-(((2R,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)-3-HYDROXY-10,13-DIMETHYLHEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOIC ACID

Preferred Name

English

CHOLAN-24-OIC ACID, 7-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-HYDROXY-, (3.ALPHA.,5.BETA.,7.BETA.)-

Common Name

English

Code System Code Type Description

PUBCHEM

76960933

Created by admin on Mon Mar 31 22:13:41 GMT 2025 , Edited by admin on Mon Mar 31 22:13:41 GMT 2025

PRIMARY

CAS

145624-10-8

Created by admin on Mon Mar 31 22:13:41 GMT 2025 , Edited by admin on Mon Mar 31 22:13:41 GMT 2025

PRIMARY

FDA UNII

6QF4KW8OG7

Created by admin on Mon Mar 31 22:13:41 GMT 2025 , Edited by admin on Mon Mar 31 22:13:41 GMT 2025

PRIMARY

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URSODEOXYCHOLYLGLYCINE

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