Feedback

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

Properties

Image

Occurences in reactions

MNX_ID

MNXM100988

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	2

formula

C₂₇H₄₁O₃

charge

-1

mass

413.30612

reference

chebi:71570

InChIKey

PSXQJZDFWDKBIP-MNVVPKPGSA-M

InChI

InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71570 chebi:71570	(25R)-3-oxocholest-4-en-26-oate (25R),26-3-keto-4-cholestenoate (25R)-3-ketocholest-4-en-26-oate (25R)-Delta(4)-dafachronate (5alpha,25R)-3-oxocholest-4-en-26-oate
kegg.compound:C20839 keggC:C20839	(25R)-3-Oxocholest-4-en-26-oate 3-Oxo-4-cholesten-26-oate 3-Oxo-4-cholesten-26-oic acid
seed.compound:cpd32634 seedM:cpd32634	(25R)-3-oxo-4-cholesten-26-oate (25R)-3-oxocholest-4-en-26-oate (25R)-3-oxocholest-4-en-26-oic acid
metacyc.compound:CPD-19067 metacycM:CPD-19067	(25R)-3-oxocholest-4-en-26-oate (25R)-3-oxo-4-cholesten-26-oate (25R)-3-oxocholest-4-en-26-oic acid (25R)-Delta4-dafachronate cholest-4-en-3-one-26-oate
SLM:000000211 slm:000000211	(25R)-Delta(4)-dafachronate
CHEBI:71613 chebi:71613	(25R)-Delta(4)-dafachronic acid (25R),26-3-keto-4-cholestenoic acid (25R)-3-ketocholest-4-en-26-oic acid (5alpha,25R)-3-oxocholest-4-en-26-oic acid
lipidmaps:LMST04030217 lipidmapsM:LMST04030217	(25R)-Delta(4)-dafachronic acid (25R)-3-ketocholest-4-en-26-oic acid (25R)-3-oxocholest-4-en-26-oic acid O3 ST 27:3
keggC:M_C20839 seedM:M_cpd32634	secondary/obsolete/fantasy identifier