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CHEBI:222150 - Paxisterol

ChEBI IDCHEBI:222150
ChEBI NamePaxisterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESC=C(CC[C@]1(C)O[C@@H]2O[C@@H]3C[C@H]1[C@]21CC[C@@H]2[C@@]4(C)CC[C@H](O)C[C@@H]4C[C@@H]4O[C@@]42[C@H]31)C(C)C
InChIInChI=1S/C28H42O4/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(30-19)32-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22-28(20,23)31-22/h15,17-24,29H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyWUKYEOQJBJKFPH-LTTQNFRJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (3366697)
ChEBI Ontology
Outgoing Relation(s)
Paxisterol (CHEBI:222150) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2S,5R,6S,9S,11R,13S,15S,16S,17R,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol
Manual XrefsDatabases
78442983ChemSpider