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CHEBI:17495 - cholesteryl β-D-glucoside

ChEBI IDCHEBI:17495
ChEBI Namecholesteryl β-D-glucoside
Stars
ASCII Namecholesteryl beta-D-glucoside
Secondary ChEBI IDsCHEBI:3664, CHEBI:13984, CHEBI:23209
Last Modified8 October 2019
DownloadsMolfile
FormulaC33H56O6
Net Charge0
Average Mass548.805
Monoisotopic Mass548.40769
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C33H56O6/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/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1
InChIKeyFSMCJUNYLQOAIM-UQBZCTSOSA-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)
cholesteryl β-D-glucoside (CHEBI:17495) has functional parent cholesterol (CHEBI:16113)
cholesteryl β-D-glucoside (CHEBI:17495) is a monosaccharide derivative (CHEBI:63367)
cholesteryl β-D-glucoside (CHEBI:17495) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
cholest-5-en-3β-yl β-D-glucopyranoside
Synonyms  Source
Cholesteryl-beta-D-glucosideKEGG COMPOUND
Cholesteryl glucosideChemIDplus
Cholesterol glucosideChemIDplus
(3beta)-cholest-5-en-3-yl D-glucopyranosideChemIDplus
UniProt Name  Source
cholesteryl 3-β-D-glucosideUniProt
Manual XrefsDatabases
C03855KEGG COMPOUND
Registry NumbersSources
CAS:26671-80-7ChemIDplus