EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211374 - Psathergosterol A

ChEBI IDCHEBI:211374
ChEBI NamePsathergosterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O5
Net Charge0
Average Mass462.671
Monoisotopic Mass462.33452
SMILESC[C@H](CC[C@H](C)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H46O5/c1-17(7-8-18(2)24(3,4)31)20-10-12-27(32)23-16-22(30)21-15-19(29)9-11-25(21,5)28(23,33)14-13-26(20,27)6/h16-21,29,31-33H,7-15H2,1-6H3/t17-,18+,19+,20-,21-,25+,26-,27-,28-/m1/s1
InChIKeyWGXZQKRCDGULTL-SRNMMVHPSA-N
Species of MetaboliteComponentSourceComments
Candolleomyces candolleanus (ncbitaxon:71730) - PubMed (31386896)
ChEBI Ontology
Outgoing Relation(s)
Psathergosterol A (CHEBI:211374) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9S,10S,13R,14S,17R)-3,9,14-trihydroxy-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one