itaconate

Chemical Formula:

C₅H₄O₄

Molecular Weight:

128.084 Daltons

Monoisotopic Mass:

130.026608681 Daltons

SMILES:

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

InChI:

1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2

InChIKey:

LVHBHZANLOWSRM-UHFFFAOYSA-L

Synonyms

propylenedicarboxylic acid
methylenebutanedioic acid
2-propene-1,2-dicarboxylic acid
methylenesuccinic acid
itaconic acid
2-methylsuccinate

Databases

MetaCyc: ITACONATE

RefMet: Itaconic acid

MetaboLights: MTBLC17240

HMDB: HMDB02092

ChemSpider: 4573697

PubChem (CID): 5459996 811

ChEBI: 17240 30838

KEGG: C00490

CAS: 97-65-4

Seed: cpd00380

MetaNetX: MNXM1747

3DMET: B01264

NIKKAJI: J38.149G

PDB-CCD: ITN

KNApSAcK: C00033964

LIPID MAPS: LMFA01170063

CHEMBL: CHEMBL359159

PupChem (SID): 3773