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CHEBI:166807 - 3-Oxo-7alpha-hydroxycholesterol

ChEBI IDCHEBI:166807
ChEBI Name3-Oxo-7alpha-hydroxycholesterol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])[C@H](O)C=C1CC(=O)CC[C@@]12C
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyRHAPOGOMBGUDQA-RQDYSCIWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-7alpha-hydroxycholesterol (CHEBI:166807) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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