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CHEBI:155845 - 25-hydroxycholest-4-en-3-one

ChEBI IDCHEBI:155845
ChEBI Name25-hydroxycholest-4-en-3-one
Stars
DefinitionA cholestanoid that is cholest-4-en-3-one which carries a hydroxy group at position 25.
Last Modified17 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CCC3=CC(=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/C27H44O2/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/h17-18,21-24,29H,6-16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyAPRTUYUNMHTWBF-REEZCCHISA-N
Species of MetaboliteComponentSourceComments
Sterolibacterium denitrificans (ncbitaxon:157592) - PubMed (18039763)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
25-hydroxycholest-4-en-3-one (CHEBI:155845) has functional parent cholest-4-en-3-one (CHEBI:16175)
25-hydroxycholest-4-en-3-one (CHEBI:155845) has role bacterial metabolite (CHEBI:76969)
25-hydroxycholest-4-en-3-one (CHEBI:155845) is a 25-hydroxy steroid (CHEBI:36864)
25-hydroxycholest-4-en-3-one (CHEBI:155845) is a 3-oxo-Δ4 steroid (CHEBI:47909)
25-hydroxycholest-4-en-3-one (CHEBI:155845) is a cholestanoid (CHEBI:50401)
IUPAC Name 
25-hydroxycholest-4-en-3-one
Synonyms  Source
cholest-4-en-25-ol-3-oneChEBI
25-hydroxy-4-cholesten-3-oneChEBI
UniProt Name  Source
25-hydroxycholest-4-en-3-oneUniProt
Manual XrefsDatabases
CPD-23331MetaCyc
Citations