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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

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](C)CCC(=O)NCC(O)=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 Sat Dec 16 08:38:31 UTC 2023
Edited
by admin
on Sat Dec 16 08:38:31 UTC 2023
Record UNII
KN9RXV527D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYLGLUCOSAMINYL URSODEOXYCHOLYL GLYCINE
Common 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
((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
Common Name English
Code System Code Type Description
CAS
145624-11-9
Created by admin on Sat Dec 16 08:38:31 UTC 2023 , Edited by admin on Sat Dec 16 08:38:31 UTC 2023
PRIMARY
FDA UNII
KN9RXV527D
Created by admin on Sat Dec 16 08:38:31 UTC 2023 , Edited by admin on Sat Dec 16 08:38:31 UTC 2023
PRIMARY
PUBCHEM
101944464
Created by admin on Sat Dec 16 08:38:31 UTC 2023 , Edited by admin on Sat Dec 16 08:38:31 UTC 2023
PRIMARY
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