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CHEBI:42977 - 25-hydroxycholesterol

ChEBI IDCHEBI:42977
ChEBI Name25-hydroxycholesterol
Stars
Secondary ChEBI IDsCHEBI:37616, CHEBI:42972
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyINBGSXNNRGWLJU-ZHHJOTBYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
25-hydroxycholesterol (CHEBI:42977) has functional parent cholesterol (CHEBI:16113)
25-hydroxycholesterol (CHEBI:42977) has role human metabolite (CHEBI:77746)
25-hydroxycholesterol (CHEBI:42977) is a 25-hydroxy steroid (CHEBI:36864)
25-hydroxycholesterol (CHEBI:42977) is a oxysterol (CHEBI:53030)
IUPAC Name 
cholest-5-ene-3β,25-diol
Synonyms  Source
Cholest-5-ene-3beta,25-diolKEGG COMPOUND
25-HydroxycholesterolKEGG COMPOUND
5-Cholestene-3beta,25-diolChemIDplus
UniProt Name  Source
25-hydroxycholesterolUniProt
Manual XrefsDatabases
C15519KEGG COMPOUND
LMST01010018LIPID MAPS
Registry NumbersSources
CAS:2140-46-7KEGG COMPOUND
CAS:2140-46-7ChemIDplus