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CHEBI:81013 - 7α,25-dihydroxy-4-cholesten-3-one

ChEBI IDCHEBI:81013
ChEBI Name7α,25-dihydroxy-4-cholesten-3-one
Stars
ASCII Name7alpha,25-dihydroxy-4-cholesten-3-one
DefinitionA cholestanoid that is 4-cholesten-3-one carrying two additional hydroxy substituents at positions 7α and 25.
Last Modified11 April 2018
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)(C)O)[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKeyPOUKDTOWHPHYQU-HENOKILYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (8662693)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) has functional parent cholest-4-en-3-one (CHEBI:16175)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) has role human metabolite (CHEBI:77746)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a 7α-hydroxy steroid (CHEBI:36843)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a C27-steroid (CHEBI:131619)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a cholestanoid (CHEBI:50401)
IUPAC Name 
7α,25-dihydroxycholest-4-en-3-one
Synonyms  Source
7alpha,25-Dihydroxy-4-cholesten-3-oneKEGG COMPOUND
7α,25-dihydroxycholestenoneHMDB
(7α)-7,25-dihydroxycholest-4-en-3-oneIUPAC
UniProt Name  Source
7α,25-dihydroxy-4-cholesten-3-oneUniProt
Manual XrefsDatabases
C17332KEGG COMPOUND
HMDB0060425HMDB
Registry NumbersSources
Reaxys:5620565Reaxys
Citations