ChEBI


 10  9  0  0  0  0  0  0  0  0  1 V2000
   14.8094   -7.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0956   -8.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5266   -8.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3818   -7.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0956   -9.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2404   -7.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5266   -9.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6680   -8.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3818   -6.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9542   -8.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <ID>
CHEBI:16859

> <NAME>
oxaloacetic acid 4-methyl ester

> <DEFINITION>
A dicarboxylic acid monoester comprising succinic acid having an oxo group at the 2-position and the methyl ester at the 4-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7813; CHEBI:14704; CHEBI:25732

> <SYNONYM>
Oxaloacetate 4-methyl ester

> <IUPAC_NAME>
4-methoxy-2,4-dioxobutanoic acid

> <FORMULA>
C5H6O5

> <MASS>
146.09814

> <MONOISOTOPIC_MASS>
146.02152

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)

> <INCHIKEY>
MAIRDOOJJIGWBJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13192-05-7

> <CHEMIDPLUS>
13192-05-7

> <KEGG_COMPOUND_ACCESSION>
C03716

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