Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

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

MNXM100992 is deprecated and here replaced by MNXM725965
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM725965Image of MNXM725965
#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 4
formulaC27H41O3
charge-1
mass413.30612
referencechebi:71541
InChIKeyPSXQJZDFWDKBIP-KMPPVSSLSA-M
InChIInChI=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
SMILESC[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
IdentifierDescription
CHEBI:71541
chebi:71541 		(25S)-3-oxocholest-4-en-26-oate
(25S),26-3-keto-4-cholestenoate
(25S)-3-ketocholest-4-en-26-oate
(25S)-Delta(4)-dafachronate
Delta(4)-DA
Delta(4)-dafachronate
dafa#2 anion
dafa#2(1-)
metacyc.compound:CPD-13689
metacycM:CPD-13689 		(25S)-3-oxocholest-4-en-26-oate
(25S)-3-oxo-4-cholesten-26-oate
(25S)-3-oxocholest-4-en-26-oic acid
CHEBI:71560
chebi:71560 		(25S)-Delta(4)-dafachronic acid
(+)-(25S)-3-keto-cholest-4-en-26-oic acid
(+)-(25S)-3-oxocholest-4-en-26-oic acid
(25S),26-3-keto-4-cholestenoic acid
(25S)-3-keto-cholest-4-en-26-oic acid
(25S)-3-oxocholest-4-en-26-oic acid
Delta(4)-DA
Delta(4)-dafachronic acid
dafa#2
dafa#4
lipidmaps:LMST04030221
lipidmapsM:LMST04030221 		(25S)-Delta(4)-dafachronic acid
(25S)-3-oxocholest-4-en-26-oic acid
O3
ST 27:3
SLM:000000139
slm:000000139 		(25S)-Delta4-dafachronate
seed.compound:cpd23997
seedM:cpd23997 		3-oxocholest-4-en-26-oate
(25S)-3-oxo-4-cholesten-26-oate
(25S)-3-oxocholest-4-en-26-oate
(25S)-3-oxocholest-4-en-26-oic acid
3-oxocholest-4-en-26-oic acid
kegg.compound:C21076
keggC:C21076 		Delta4-Dafachronic acid
(25S),26-3-Keto-4-cholestenoic acid
(25S)-3-Oxocholest-4-en-26-oate
(25S)-Delta4-Dafachronic acid
keggC:M_C21076
seedM:M_cpd23997 		secondary/obsolete/fantasy identifier