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(25R)-3-oxocholest-4-en-26-al

Properties

Image

Occurences in reactions

MNX_ID

MNXM145953

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	2

formula

C₂₇H₄₂O₂

charge

mass

398.31848

reference

chebi:83862

InChIKey

BGGFPZPRXRJKGG-LUZKGJLSSA-N

InChI

InChI=1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18-,19-,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

C[C@@H](C=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83862 chebi:83862	(25R)-3-oxocholest-4-en-26-al (25R)-3-ketocholest-4-en-26-al
kegg.compound:C21305 keggC:C21305	(25R)-26-Oxocholest-4-en-3-one
seed.compound:cpd35252 seedM:cpd35252	(25R)-26-oxocholest-4-en-3-one (25R)-3-oxocholest-4-en-26-al
metacyc.compound:CPD-19068 metacycM:CPD-19068	(25R)-26-oxocholest-4-en-3-one (25R)-3-oxocholest-4-en-26-al cholest-4-en-26-al-3-one
SLM:000399831 slm:000399831	(25R)-3-oxocholest-4-en-26-al
keggC:M_C21305 seedM:M_cpd35252	secondary/obsolete/fantasy identifier