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CHEBI:166761 - Cholestanyl glucoside

ChEBI IDCHEBI:166761
ChEBI NameCholestanyl glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O6
Net Charge0
Average Mass550.821
Monoisotopic Mass550.42334
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O[C@@H]1OC(CO)[C@@H](O)C(O)C1O)C2
InChIInChI=1S/C33H58O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h19-31,34-37H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27?,28-,29?,30?,31-,32+,33-/m1/s1
InChIKeyWCKMVARSQFCTKY-GAEYLHRPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cholestanyl glucoside (CHEBI:166761) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2R,5S)-2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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