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CHEBI:30838 - itaconic acid

ChEBI IDCHEBI:30838
ChEBI Nameitaconic acid
Stars
DefinitionA dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group.
Secondary ChEBI IDsCHEBI:6074, CHEBI:24933
Last Modified24 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC5H6O4
Net Charge0
Average Mass130.099
Monoisotopic Mass130.02661
SMILESC=C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyLVHBHZANLOWSRM-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23610393)
Roles Classification

ChEBI Ontology
IUPAC Name 
2-methylidenebutanedioic acid
Synonyms  Source
Itaconic acidKEGG COMPOUND
Methylenesuccinic acidKEGG COMPOUND
2-methylenesuccinic acidNIST Chemistry WebBook
methylenebutanedioic acidNIST Chemistry WebBook
2-propene-1,2-dicarboxylic acidNIST Chemistry WebBook
propylenedicarboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
C00490KEGG COMPOUND
ITACONATEMetaCyc
Itaconic_acidWikipedia
HMDB0002092HMDB
LMFA01170063LIPID MAPS
C00033964KNApSAcK
ECMDB02092ECMDB
YMDB00716YMDB
Registry NumbersSources
Gmelin:240640Gmelin
Reaxys:1759501Reaxys
CAS:97-65-4KEGG COMPOUND
CAS:97-65-4ChemIDplus
CAS:97-65-4NIST Chemistry WebBook
Citations