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2-methyl-cis-aconitate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1792

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	4

formula

C₇H₅O₆

charge

-3

mass

185.111

reference

chebi:57872

InChIKey

NUZLRKBHOBPTQV-ARJAWSKDSA-K

InChI

InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3-

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57872 chebi:57872	2-methyl-cis-aconitate (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylate (2Z)-but-2-ene-1,2,3-tricarboxylate (Z)-but-2-ene-1,2,3-tricarboxylate
sabiork.compound:7166 sabiorkM:7166 kegg.compound:C04225 keggC:C04225	(Z)-But-2-ene-1,2,3-tricarboxylate cis-2-Methylaconitate
CHEBI:16717 chebi:16717	(Z)-but-2-ene-1,2,3-tricarboxylic acid (2Z)-but-2-ene-1,2,3-tricarboxylic acid (Z)-But-2-ene-1,2,3-tricarboxylate (Z)-but-2-ene-1,2,3-tricarboxylate alpha-Methyl-cis-aconitate alpha-Methylaconitate cis-2-Butene-1,2,3-tricarboxylic acid cis-2-Methylaconitate
bigg.metabolite:2mcacn biggM:2mcacn	Cis-2-Methylaconitate
hmdb:HMDB0006357	cis-2-Methylaconitate (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylic acid (2Z)-But-2-ene-1,2,3-tricarboxylic acid (Z)-2-Butene-1,2,3-tricarboxylic acid (Z)-But-2-ene-1,2,3-tricarboxylate (Z)-But-2-ene-1,2,3-tricarboxylic acid a-Methyl-cis-aconitate a-Methyl-cis-aconitic acid a-Methylaconitate a-Methylaconitic acid alpha-Methyl-cis-aconitate alpha-Methyl-cis-aconitic acid alpha-Methylaconitate alpha-Methylaconitic acid alpha-methyl-cis-aconitate alpha-methyl-cis-aconitic acid alpha-methylaconitate alpha-methylaconitic acid cis-2-Butene-1,2,3-tricarboxylate cis-2-Butene-1,2,3-tricarboxylic acid cis-2-Methylaconitic acid
seed.compound:cpd02597 seedM:cpd02597	cis-2-Methylaconitate (Z)-But-2-ene-1,2,3-tricarboxylate (Z)-but-2-ene-1,2,3-tricarboxylate 2-methyl-cis-aconitase 2-methyl-cis-aconitate 2-methylaconitate 2mcacn cis-2-methylaconitate
metacyc.compound:CPD-1136 metacycM:CPD-1136	cis-2-methylaconitate (Z)-but-2-ene-1,2,3-tricarboxylate 2-methyl-cis-aconitate 2-methylaconitate
hmdb:HMDB06357 chebi:11084 chebi:18819 chebi:456 biggM:M_2mcacn keggC:M_C04225 seedM:M_cpd02597	secondary/obsolete/fantasy identifier