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CHEBI:79859 - Cholesta-3,5-dien-7-one

ChEBI IDCHEBI:79859
ChEBI NameCholesta-3,5-dien-7-one
Stars
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2C(=O)C=C2C=CCC[C@@]21C
InChIInChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25?,26+,27-/m1/s1
InChIKeyTTXJJFWWNDJDNR-IUVLWAHFSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholesta-3,5-dien-7-one (CHEBI:79859) is a cholestanoid (CHEBI:50401)
Manual XrefsDatabases
C15357KEGG COMPOUND
Registry NumbersSources
CAS:567-72-6KEGG COMPOUND