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CHEBI:41571 - N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE

Default Structure
ChEBI IDCHEBI:41571
ChEBI NameN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H75N3O15
Net Charge0
Average Mass862.068
Monoisotopic Mass861.51982
SMILES[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@@]21C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
InChIInChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChIKeyOJSUWTDDXLCUFR-HGZMBBKESA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE (CHEBI:41571) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)PDBeChem
N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEPDBeChem
Manual XrefsDatabases
CPQPDBeChem