EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177524 - cholesterol beta-d-glucoside

ChEBI IDCHEBI:177524
ChEBI Namecholesterol beta-d-glucoside
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O7
Net Charge0
Average Mass562.788
Monoisotopic Mass562.38695
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2C3CC=C4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22?,23-,24?,25?,26+,27+,28-,29+,31-,32+,33-/m1/s1
InChIKeyIJLBJBCDNYOWPJ-POWTZJBQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
cholesterol beta-d-glucoside (CHEBI:177524) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[[(10R,13R,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]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
19367629ChemSpider