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CHEBI:223372 - Sterolic acid

ChEBI IDCHEBI:223372
ChEBI NameSterolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O7
Net Charge0
Average Mass484.589
Monoisotopic Mass484.24610
SMILESC[C@H](/C=C/[C@H](C)[C@H](C)C(=O)O)[C@H]1CC[C@H]2C3=CC(=O)[C@@]45O[C@@H]4[C@H](O)[C@@H]4O[C@@H]4[C@]5(C)[C@]34CC[C@]12CO4
InChIInChI=1S/C28H36O7/c1-13(15(3)24(31)32)5-6-14(2)16-7-8-17-18-11-19(29)28-22(35-28)20(30)21-23(34-21)25(28,4)27(18)10-9-26(16,17)12-33-27/h5-6,11,13-17,20-23,30H,7-10,12H2,1-4H3,(H,31,32)/b6-5+/t13-,14+,15-,16+,17-,20+,21-,22+,23-,25+,26-,27-,28+/m0/s1
InChIKeyWQTCLVQYDLVATO-GRTLLFEISA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (22412815)
ChEBI Ontology
Outgoing Relation(s)
Sterolic acid (CHEBI:223372) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(E,2S,3S,6R)-6-[(1S,2R,3R,5S,6R,7R,9S,13R,16R,17S)-6-hydroxy-2-methyl-10-oxo-4,8,19-trioxaheptacyclo[15.2.2.01,12.02,9.03,5.07,9.013,17]henicos-11-en-16-yl]-2,3-dimethylhept-4-enoic acid
Manual XrefsDatabases
29214754ChemSpider