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CHEBI:87056 - 5α-cholest-8-en-3-one

ChEBI IDCHEBI:87056
ChEBI Name5α-cholest-8-en-3-one
Stars
ASCII Name5alpha-cholest-8-en-3-one
DefinitionA cholestanoid that is 5α-cholest-8-ene substituted at position 3 by an oxo group.
Last Modified14 August 2015
Submitterabridge
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,23-24H,6-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1
InChIKeyRZSXSHNNQBIPTL-ZSBATXSLSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-cholest-8-en-3-one (CHEBI:87056) is a 3-oxo steroid (CHEBI:47788)
5α-cholest-8-en-3-one (CHEBI:87056) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(5α)-cholest-8-en-3-one
Synonyms  Source
5α-cholesta-8-en-3-oneLIPID MAPS
5alpha-cholesta-8-en-3-oneHMDB
5alpha-cholest-8-en-3-oneHMDB
UniProt Name  Source
5α-cholest-8-en-3-oneUniProt
Manual XrefsDatabases
LMST01010239LIPID MAPS
HMDB0012178HMDB
CPD-8620MetaCyc
Registry NumbersSources
Reaxys:3217974Reaxys