CHEBI:63838 - (24S)-7α,24-dihydroxycholest-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (24S)-7α,24-dihydroxycholest-4-en-3-one
ChEBI ID CHEBI:63838
ChEBI ASCII Name (24S)-7alpha,24-dihydroxycholest-4-en-3-one
Definition 7α,24-Dihydroxycholest-4-en-3-one with S-configuration at C-24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63650
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-GXKBHXPCSA-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)CC[C@H](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.
(via 7alpha,24-dihydroxycholest-4-en-3-one )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (24S)-7α,24-dihydroxycholest-4-en-3-one (CHEBI:63838) is a 7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701)
IUPAC Name
(24S)-7α,24-dihydroxycholest-4-en-3-one
Synonyms Sources
(24S)-7α,24-dihydroxycholest-4-en-3-one UniProt
4-cholesten-7α,24(S)-diol-3-one IUPAC
Last Modified
29 September 2016