CHEBI:87677 - (25R)-3β-hydroxycholest-5-en-7-one-26-al

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-3β-hydroxycholest-5-en-7-one-26-al
ChEBI ID CHEBI:87677
ChEBI ASCII Name (25R)-3beta-hydroxycholest-5-en-7-one-26-al
Definition A 26-oxo steroid resulting from the oxidation of (25R)-3β,26-dihydroxycholest-5-en-7-one to the corresponding aldehyde.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H42O3
Net Charge 0
Average Mass 414.622
Monoisotopic Mass 414.31340
InChI InChI=1S/C27H42O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15-18,20-23,25,29H,5-14H2,1-4H3/t17-,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey QIBLFDGXKLKYFD-HNFKANRHSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C=C2C[C@H](C1)O)=O)[H])(CC[C@@]4([C@H](C)CCC[C@@H](C)C([H])=O)[H])[H])C)[H])C
ChEBI Ontology
Outgoing (25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) has functional parent cholesterol (CHEBI:16113)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a 26-oxo steroid (CHEBI:36884)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a 3β-sterol (CHEBI:35348)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a 7-oxo steroid (CHEBI:47789)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a cholestanoid (CHEBI:50401)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a oxysterol (CHEBI:53030)
(25R)-3β-hydroxycholest-5-en-7-one-26-al (CHEBI:87677) is a steroid aldehyde (CHEBI:131565)
IUPAC Name
(25R)-3β-hydroxy-7-oxocholest-5-en-26-al
Synonyms Sources
(25R)-3β-hydroxycholest-5-en-7-one-26-al UniProt
(3β,25R)-3-hydroxy-7-oxocholest-5-en-26-al IUPAC
Last Modified
25 April 2017