CHEBI:166810 - 6-Oxocholestanol

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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 6-Oxocholestanol
ChEBI ID CHEBI:166810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H46O2
Net Charge 0
Average Mass 402.663
Monoisotopic Mass 402.34978
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21-,22?,23?,24-,26-,27-/m1/s1
InChIKey JQMQKOQOLPGBBE-ACDJNLQYSA-N
SMILES O=C1[C@@]2([C@@](C3C(C4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)C1)(CC[C@H](O)C2)C)[H]
ChEBI Ontology
Outgoing 6-Oxocholestanol (CHEBI:166810) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Manual Xrefs Databases
92150 ChemSpider
LMST01010276 LIPID MAPS
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