CHEBI:190003 - (3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol

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ChEBI Name (3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol
ChEBI ID CHEBI:190003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O3
Net Charge 0
Average Mass 428.657
Monoisotopic Mass 428.32905
InChI InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+
InChIKey FMEOHNKBCMQEEH-BQYQJAHWSA-N
SMILES OC12C(C=3C(C4C(C(CC4)C(C)/C=C/C(C(C)C)C)(CC3)C)=CC1O)(CCC(O)C2)C
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing (3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol (CHEBI:190003) is a ergostanoid (CHEBI:50403)
IUPAC Name
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual Xref Database
HMDB0032108 HMDB
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