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CHEBI:17899 - 7α-hydroxycholest-4-en-3-one

ChEBI IDCHEBI:17899
ChEBI Name7α-hydroxycholest-4-en-3-one
Stars
ASCII Name7alpha-hydroxycholest-4-en-3-one
DefinitionA cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C=C bond at the 4,5-position and an α-hydroxy group at the 7-position.
Secondary ChEBI IDsCHEBI:2292, CHEBI:12262, CHEBI:20800, CHEBI:58317
Last Modified18 October 2017
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)CC1=CC(=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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyIOIZWEJGGCZDOL-RQDYSCIWSA-N

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
7α-hydroxycholest-4-en-3-one
Synonyms  Source
7alpha-Hydroxycholest-4-en-3-oneKEGG COMPOUND
Cholest-4-en-7alpha-ol-3-oneChemIDplus
7alpha-Hydroxy-4-cholesten-3-oneChemIDplus
UniProt Name  Source
7α-hydroxycholest-4-en-3-oneUniProt
Manual XrefsDatabases
C05455KEGG COMPOUND
LMST04030123LIPID MAPS
Registry NumbersSources
CAS:3862-25-7ChemIDplus
CAS:3862-25-7KEGG COMPOUND