Ergosta-7,22-diene-3-one (CHEBI:203009)

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CHEBI:203009 - Ergosta-7,22-diene-3-one

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ChEBI ID	CHEBI:203009
ChEBI Name	Ergosta-7,22-diene-3-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H44O
Net Charge	0
Average Mass	396.659
Monoisotopic Mass	396.33922
SMILES	CC(C)C(C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CCC4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19?,20-,21?,24-,25+,26+,27+,28-/m1/s1
InChIKey	AHWOEMBXZXGDBQ-LYDJHEMHSA-N

Species of Metabolite	Component	Source	Comments
Fomes fomentarius (ncbitaxon:40442)	-	DOI (10.1039/jr9580002603)

ChEBI Ontology

Outgoing Relation(s)
	Ergosta-7,22-diene-3-one (CHEBI:203009) is a ergostanoid (CHEBI:50403)

IUPAC Name
(9R,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Manual Xrefs	Databases
78442413	ChemSpider