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(1E)-4-oxobut-1-ene-1,2,4-tricarboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM162444

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

formula

C₇H₃O₇

charge

-3

mass

198.98952

reference

InChIKey

ODTDYYZJDQGKQT-NSCUHMNNSA-K

InChI

InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+

SMILES

O=C([O-])/C=C(\CC(=O)C(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57471 chebi:57471	(1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
kegg.compound:C04434 keggC:C04434	(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate 4-Oxalmesaconic acid 4-Oxalomesaconate
metacyc.compound:4-OXALOMESACONATE metacycM:4-OXALOMESACONATE	(1E)-4-oxobut-1-ene-1,2,4-tricarboxylate (E)-3-carboxy-5-oxo-2-hexenedioic-acid 4-oxalmesaconic acid 4-oxalomesaconate OMAketo gamma-oxalomesaconate
CHEBI:15668 chebi:15668	(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (E)-4-Oxobut-1-ene-1,2,4-tricarboxylate (E)-4-oxobut-1-ene-1,2,4-tricarboxylate 4-Oxalmesaconic acid 4-Oxalomesaconate
sabiork.compound:30736 sabiorkM:30736	(4E)-Oxalomesaconate
envipath:...8987ddc6c3c1 envipathM:...8987ddc6c3c1	4-Oxalomesaconate
seed.compound:cpd02707 seedM:cpd02707	4-Oxalomesaconate (1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate (E)-3-carboxy-5-oxo-2-hexenedioic-acid (E)-4-Oxobut-1-ene-1,2,4-tricarboxylate 4-Oxalmesaconic acid 4-oxalmesaconic acid 4-oxalomesaconate OMAketo gamma-oxalomesaconate
chebi:10954 chebi:18629 chebi:279 keggC:M_C04434 seedM:M_cpd02707	secondary/obsolete/fantasy identifier