(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (CHEBI:231000)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

ChEBI ID	CHEBI:231000

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C27H48O5

Net Charge

Average Mass

452.676

Monoisotopic Mass

452.35017

InChI

InChI=1S/C27H48O5/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(31-29)27(32-30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3

InChIKey

YPRHNHJVGXHPES-UHFFFAOYSA-N

SMILES

O(O)C12C(C3C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)CC1OO)(CCC(O)C2)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (CHEBI:231000) is a cholestanoid (CHEBI:50401)

IUPAC Name

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