Marvin  04240813252D          

  8  7  0  0  0  0            999 V2000
   -0.7145    0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  1  0  0  0  0
  7  3  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:30860

> <NAME>
methylmalonic acid

> <DEFINITION>
A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42270; CHEBI:6881; CHEBI:25319

> <SYNONYM>
METHYLMALONIC ACID; Methylmalonic acid; Isosuccinic acid; alpha-methylmalonic acid; 2-methylmalonic acid; 1,1-Ethanedicarboxylic acid

> <IUPAC_NAME>
methylpropanedioic acid

> <FORMULA>
C4H6O4

> <MASS>
118.08804

> <MONOISOTOPIC_MASS>
118.02661

> <CHARGE>
0

> <SMILES>
CC(C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

> <INCHIKEY>
ZIYVHBGGAOATLY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1756084

> <CAS_REGISTRY_NUMBER>
516-05-2

> <GMELIN_REGISTRY_NUMBER>
50008

> <REAXYS_REGISTRY_NUMBER>
1756084

> <CHEMIDPLUS>
516-05-2

> <DRUGBANK_ACCESSION>
DB04183

> <KEGG_COMPOUND_ACCESSION>
C02170

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01170118

> <METACYC_ACCESSION>
CPD-546

> <NIST_CHEMISTRY_WEBBOOK>
516-05-2

> <PDBECHEM_ACCESSION>
DXX

> <WIKIPEDIA_ACCESSION>
Methylmalonic_acid

> <PUBMED_CITATION>
11673368; 15770414; 17190852; 21478039; 21652239; 21687976; 21748409; 21802231; 21896502; 22104738; 22233538; 22301932; 22332180; 22377700; 22422209; 22424943; 22509143; 22537172; 22770225

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