N-ACETYLGLUCOSAMINYL URSODEOXYCHOLYL GLYCINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H56N2O10
Molecular Weight	652.8158
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYLGLUCOSAMINYL URSODEOXYCHOLYL GLYCINE

Structure Search

SMILES

C[C@H](CCC(=O)NCC(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=LUKHXDHUMKXYJA-AZAFIUIXSA-N

InChI=1S/C34H56N2O10/c1-17(5-8-26(40)35-15-27(41)42)21-6-7-22-28-23(10-12-34(21,22)4)33(3)11-9-20(39)13-19(33)14-24(28)45-32-29(36-18(2)38)31(44)30(43)25(16-37)46-32/h17,19-25,28-32,37,39,43-44H,5-16H2,1-4H3,(H,35,40)(H,36,38)(H,41,42)/t17-,19+,20-,21-,22+,23+,24+,25-,28+,29-,30-,31-,32-,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H56N2O10
Molecular Weight	652.8158
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	KN9RXV527D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYLGLUCOSAMINYL URSODEOXYCHOLYL GLYCINE

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)PENTANOYL)GLYCINE

Preferred Name

English

GLYCINE, N-((3.ALPHA.,5.BETA.,7.BETA.)-7-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-HYDROXY-24-OXOCHOLAN-24-YL)-

Common Name

English

Code System Code Type Description

CAS

145624-11-9

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

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FDA UNII

KN9RXV527D

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

PUBCHEM

101944464

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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