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

Properties

Image

Occurences in reactions

MNX_ID

MNXM145954

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

formula

C₂₇H₄₄O₂

charge

mass

400.33413

reference

chebi:83861

InChIKey

CXUORUGFOXGJNY-LUZKGJLSSA-N

InChI

InChI=1S/C27H44O2/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/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19-,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

C[C@@H](CO)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:83861 chebi:83861	(25R)-3-oxocholest-4-en-26-ol (25R)-26-hydroxycholest-4-en-3-one
kegg.compound:C21303 keggC:C21303	(25R)-26-Hydroxycholest-4-en-3-one
seed.compound:cpd32556 seedM:cpd32556	(25R)-26-hydroxycholest-4-en-3-one (25R)-3-oxocholest-4-en-26-ol
metacyc.compound:CPD-19069 metacycM:CPD-19069	(25R)-26-hydroxycholest-4-en-3-one (25R)-3-oxocholest-4-en-26-ol 26-hydroxycholest-4-en-3-one
SLM:000485317 slm:000485317	(25R)-3-oxocholest-4-en-26-ol
keggC:M_C21303 seedM:M_cpd32556	secondary/obsolete/fantasy identifier