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CHEBI:173266 - 4-methyl-5-cholesta-8-en-3-one

ChEBI IDCHEBI:173266
ChEBI Name4-methyl-5-cholesta-8-en-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILESCC(C)CCCC(C)C1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3
InChIInChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19?,20-,22?,23?,24?,27+,28-/m0/s1
InChIKeySDZUXFFGOQZLPK-RJBGAFQBSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methyl-5-cholesta-8-en-3-one (CHEBI:173266) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(4S,10S,13R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0012174HMDB