Ergostene (CHEBI:189079)

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CHEBI:189079 - Ergostene

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ChEBI ID	CHEBI:189079
ChEBI Name	Ergostene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H48
Net Charge	0
Average Mass	384.692
Monoisotopic Mass	384.37560
SMILES	[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](C)C(=C)C
InChI	InChI=1S/C28H48/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h20-26H,1,7-18H2,2-6H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey	UZBSAVZYILSDDH-ADGVWNIHSA-N

Species of Metabolite	Component	Source	Comments
Microchloropsis (ncbitaxon:2511164)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS1778)

ChEBI Ontology

Outgoing Relation(s)
	Ergostene (CHEBI:189079) is a ergostanoid (CHEBI:50403)

IUPAC Name
(8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene