MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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mesaconate

	Properties	Image
MNX_ID	MNXM1371057
reference	chebi:36986
formula	C₅H₄O₄
global charge	-2
mol weight	128.083
InChIKey	HNEGQIOMVPPMNR-NSCUHMNNSA-L
InChI	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/p-2/b3-2+
SMILES	C/C(=C\C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
SMILES (mnx)	[CH3:1]/[C:3](=[CH:2]\[C:4](=[O:6])[OH:7])[C:5](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36986 chebi:36986 HNEGQIOMVPPMNR-NSCUHMNNSA-L	mesaconate (2E)-2-methylbut-2-enedioate 2-Methylfumarate Mesaconate mesaconate(2-) methylfumarate
vmhM:mescon vmhmetabolite:mescon HNEGQIOMVPPMNR-NSCUHMNNSA-L	Mesaconate (2Z)-2-methylbut-2-enedioic acid
bigg.metabolite:mescon biggM:mescon HNEGQIOMVPPMNR-NSCUHMNNSA-L	Mesaconate (E)-2-Methyl-2-butenedioic acid
seed.compound:cpd01194 seedM:cpd01194 HNEGQIOMVPPMNR-NSCUHMNNSA-L	Mesaconate (E)-2-Methyl-2-butenedioic acid (E)-2-methyl-2-butanedionic acid 2-Methylfumarate 2-methylfumarate Mesaconic acid Methylfumaric acid mesaconate mesaconic acid
kegg.compound:C01732 keggC:C01732 HNEGQIOMVPPMNR-NSCUHMNNSA-N	Mesaconate (E)-2-Methyl-2-butenedioic acid 2-Methylfumarate Mesaconic acid Methylfumaric acid
sabiork.compound:5760 sabiorkM:5760 HNEGQIOMVPPMNR-NSCUHMNNSA-L	Mesaconate 2-Methylfumarate Mesaconic acid Methylfumaric acid
hmdb:HMDB0000749 HNEGQIOMVPPMNR-NSCUHMNNSA-N	Mesaconic acid (2E)-2-Methyl-2-butenedioate (2E)-2-Methyl-2-butenedioic acid (2E)-2-methylbut-2-enedioic acid (Z)-2-Methyl-2-butenedioic acid (e)-2-Methyl-2-butenedioate (e)-2-Methyl-2-butenedioic acid (e)-Citraconate (e)-Citraconic acid 2-Methylfumarate 2-Methylfumaric acid Citraconic acid Citraconic acid, (e)-isomer Citraconic acid, ammonium salt Citraconic acid, calcium salt Citraconic acid, sodium salt Citronate Citronic acid Mesaconate Methylfumarate Methylfumaric acid Methylmaleic acid Monomethylfumarate mesaconic acid trans-1-Propene-1,2-dicarboxylate trans-1-Propene-1,2-dicarboxylic acid trans-2-Methyl-2-butenedioate trans-2-Methyl-2-butenedioic acid
lipidmaps:LMFA01170116 lipidmapsM:LMFA01170116 HNEGQIOMVPPMNR-NSCUHMNNSA-N	Mesaconic acid 2-methyl-2E-butenedioic acid FA 5:2 O2
metacyc.compound:MESACONATE metacycM:MESACONATE HNEGQIOMVPPMNR-NSCUHMNNSA-L	mesaconate (E)-2-methyl-2-butanedionic acid 2-methylfumarate mesaconic acid
CHEBI:16600 chebi:16600 HNEGQIOMVPPMNR-NSCUHMNNSA-N	mesaconic acid (2E)-2-methylbut-2-enedioic acid (E)-2-Methyl-2-butenedioic acid (E)-Citraconic acid 2-methylfumaric acid Citronic acid Mesaconic acid Methylfumaric acid trans-1-Propene-1,2-dicarboxylic acid trans-2-Methyl-2-butenedioic acid
hmdb:HMDB00749 chebi:11622 chebi:14584 chebi:19700 chebi:19701 chebi:43999 chebi:6772 biggM:M_mescon keggC:M_C01732 seedM:M_cpd01194 vmhM:M_mescon	secondary/obsolete/fantasy identifier