CHEBI:173235 - (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one

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ChEBI Name (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one
ChEBI ID CHEBI:173235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O5
Net Charge 0
Average Mass 460.655
Monoisotopic Mass 460.31887
InChI InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+
InChIKey RLODFSODJNFIMP-BQYQJAHWSA-N
SMILES OC12C(C(CC1)C(C)/C=C/C(C(C)C)C)(CCC3(O)C4(C(O)(CC(O)CC4)C(=O)C=C23)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one (CHEBI:173235) is a ergostanoid (CHEBI:50403)
IUPAC Name
17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9,14-tetrahydroxy-10,13-dimethyl-2,3,4,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one
Manual Xrefs Databases
74886386 ChemSpider
HMDB0032690 HMDB
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