(5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (CHEBI:143765)

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CHEBI:143765 - (5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

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ChEBI ID	CHEBI:143765
ChEBI Name	(5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
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Submitter	mwilliams
Downloads	Molfile

Formula	C27H46O
Net Charge	0
Average Mass	386.664
Monoisotopic Mass	386.35487
SMILES	CC(C)CCCC(C)C1CCC2C3CC[C@@H]4CC(=O)CCC4(C)C3CCC12C
InChI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19?,20-,22?,23?,24?,25?,26?,27?/m1/s1
InChIKey	PESKGJQREUXSRR-JAGYRSRJSA-N

Species of Metabolite	Component	Source	Comments
Bathymodiolus (ncbitaxon:12965)	gill filament (BTO:0002150)	MetaboLights (MTBLS746)

ChEBI Ontology

Outgoing Relation(s)
	(5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (CHEBI:143765) is a cholestanoid (CHEBI:50401)