(3S,5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CHEBI:143740)

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CHEBI:143740 - (3S,5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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ChEBI ID	CHEBI:143740
ChEBI Name	(3S,5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Submitter	mwilliams
Downloads	Molfile

Formula	C27H48O
Net Charge	0
Average Mass	388.680
Monoisotopic Mass	388.37052
SMILES	CC(C)CCCC(C)C1CCC2C3CC[C@@H]4C[C@@H](O)CCC4(C)C3CCC12C
InChI	InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19?,20-,21+,22?,23?,24?,25?,26?,27?/m1/s1
InChIKey	QYIXCDOBOSTCEI-WXXXDBQUSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(3S,5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CHEBI:143740) is a cholestanoid (CHEBI:50401)