03219A (CHEBI:198539)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198539 - 03219A

Take structure to advanced search

ChEBI ID	CHEBI:198539
ChEBI Name	03219A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32O2
Net Charge	0
Average Mass	316.485
Monoisotopic Mass	316.24023
SMILES	CC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3
InChI	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-15,17-18,23H,4-12H2,1-3H3/t14-,15-,17+,18-,20-,21+/m0/s1
InChIKey	KOMQIFOLNCGLSW-RCFQRTJFSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies SCSIO 03219 (ncbitaxon:1196724)	-	PubMed (23549354)

ChEBI Ontology

Outgoing Relation(s)
	03219A (CHEBI:198539) is a 20-oxo steroid (CHEBI:36885)

IUPAC Name
1-[(3S,5S,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Manual Xrefs	Databases
30771119	ChemSpider