EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199933 - Cholesteryl-a-D-glucopyranoside

ChEBI IDCHEBI:199933
ChEBI NameCholesteryl-a-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O6
Net Charge0
Average Mass548.805
Monoisotopic Mass548.40769
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC5OC(CO)C(O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C
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-XKTNCEJCSA-N
Species of MetaboliteComponentSourceComments
Helicobacter pylori (ncbitaxon:210) - PubMed (7665522)
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-a-D-glucopyranoside (CHEBI:199933) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78445051ChemSpider