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itaconate

PropertiesImage
MNX_IDMNXM1747 Image of MNXM1747
referencechebi:17240
formulaC5H4O4
global charge-2
mol weight128.083
InChIKeyLVHBHZANLOWSRM-UHFFFAOYSA-L
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2
SMILESC=C(CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) Image of MNXM1747
SMILES (mnx)[CH2:1]=[C:3]([CH2:2][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)16
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9767106
reactomeM:R-ALL-9767106
CHEBI:17240
chebi:17240
LVHBHZANLOWSRM-UHFFFAOYSA-L 		itaconate
2-methylidenebutanedioate
itaconate(2-)
methylenesuccinate(2-)
methylenesuccinic acid, ion(2-)

bigg.metabolite:itacon
biggM:itacon
LVHBHZANLOWSRM-UHFFFAOYSA-L 		Itaconate

seed.compound:cpd00380
seedM:cpd00380
LVHBHZANLOWSRM-UHFFFAOYSA-L 		Itaconate
2-methylsuccinate
2-propene-1,2-dicarboxylic acid
Itaconic acid
Methylenesuccinic acid
itacon
itaconate
itaconic acid
methylenebutanedioic acid
methylenesuccinic acid
propylenedicarboxylic acid

sabiork.compound:2059
sabiorkM:2059
kegg.compound:C00490
keggC:C00490
LVHBHZANLOWSRM-UHFFFAOYSA-N 		Itaconate
Itaconic acid
Methylenesuccinic acid
hmdb:HMDB0002092
LVHBHZANLOWSRM-UHFFFAOYSA-N 		Itaconic acid
2-Hydroxy-3-naphthoyl-2-naphthylamine
2-Methylenesuccinate
2-Methylenesuccinic acid
2-Propene-1,2-dicarboxylate
2-Propene-1,2-dicarboxylic acid
2-methylidenebutanedioic acid
Itaconate
Itaconic acid, calcium salt
Itaconic acid, copper salt
Itaconic acid, disodium salt
Itaconic acid, sodium salt
Methylenebutanedioate
Methylenebutanedioic acid
Methylenesuccinate
Methylenesuccinic acid
Propylenedicarboxylate
Propylenedicarboxylic acid
itaconic acid

lipidmaps:LMFA01170063
lipidmapsM:LMFA01170063
LVHBHZANLOWSRM-UHFFFAOYSA-N 		Itaconic acid
2-methylenebutanedioic acid
2-methylenesuccinic acid
2-methylidenebutanedioic acid
2-propene-1,2-dicarboxylic acid
FA 5:2
Methylenesuccinic acid
O2
propylenedicarboxylic acid

vmhM:itacon
vmhmetabolite:itacon
LVHBHZANLOWSRM-UHFFFAOYSA-L 		itaconate(2-)
2-methylidenebutanedioic acid

metacyc.compound:ITACONATE
metacycM:ITACONATE
LVHBHZANLOWSRM-UHFFFAOYSA-L 		itaconate
2-methylsuccinate
2-propene-1,2-dicarboxylic acid
itaconic acid
methylenebutanedioic acid
methylenesuccinic acid
propylenedicarboxylic acid

CHEBI:30838
chebi:30838
LVHBHZANLOWSRM-UHFFFAOYSA-N 		itaconic acid
2-methylenesuccinic acid
2-methylidenebutanedioic acid
2-propene-1,2-dicarboxylic acid
Itaconic acid
Methylenesuccinic acid
methylenebutanedioic acid
propylenedicarboxylic acid

hmdb:HMDB02092
chebi:14484
chebi:24932
chebi:24933
chebi:6074
biggM:M_itacon
keggC:M_C00490
seedM:M_cpd00380
vmhM:M_itacon 		secondary/obsolete/fantasy identifier