EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185315 - Xeniasterol-b

ChEBI IDCHEBI:185315
ChEBI NameXeniasterol-b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]3(O)[C@H](O)[C@H](OC(C)=O)[C@@]21[H]
InChIInChI=1S/C30H50O5/c1-17(2)18(3)8-9-19(4)22-10-11-23-25-24(13-14-28(22,23)6)29(7)15-12-21(32)16-30(29,34)27(33)26(25)35-20(5)31/h8-9,17-19,21-27,32-34H,10-16H2,1-7H3/b9-8+/t18-,19+,21-,22+,23-,24-,25-,26+,27+,28+,29+,30-/m0/s1
InChIKeyYQEBNQBWFBVVNB-WFRMYLOFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Xeniasterol-b (CHEBI:185315) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] acetate
Manual XrefsDatabases
10270420ChemSpider
LMST01031063LIPID MAPS