CHEBI:48701 - 7α,24-dihydroxycholest-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α,24-dihydroxycholest-4-en-3-one
ChEBI ID CHEBI:48701
ChEBI ASCII Name 7alpha,24-dihydroxycholest-4-en-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1
InChIKey LFFHZNXDGBQZCO-XGEBBOSUSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)C(C)C
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
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ChEBI Ontology
Outgoing 7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) has role bile acid metabolite (CHEBI:48887)
7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 24-hydroxy steroid (CHEBI:36865)
7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 7α-hydroxy steroid (CHEBI:36843)
7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a cholestanoid (CHEBI:50401)
Incoming (24S)-7α,24-dihydroxycholest-4-en-3-one (CHEBI:63838) is a 7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701)
IUPAC Name
7α,24-dihydroxycholest-4-en-3-one
Synonym Source
4-cholesten-7α,24-diol-3-one ChEBI
Manual Xref Database
C17331 KEGG COMPOUND
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Last Modified
04 May 2017