ChEBI


 13 12  0  0  0  0  0  0  0  0  1 V2000
    7.6444   -3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121   -4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1177   -4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444   -2.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -4.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1177   -5.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2555   -3.6753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121   -5.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444   -6.3402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444   -7.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -8.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7822   -8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  4  3  1  0  0  0  0
  8  4  1  0  0  0  0
  7  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:16253

> <NAME>
2-(acetamidomethylidene)succinic acid

> <DEFINITION>
A dicarboxylic acid that is succinic acid substituted by a acetamidomethylidene group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11473; CHEBI:970; CHEBI:19413

> <SYNONYM>
2-(Acetamidomethylene)succinate

> <IUPAC_NAME>
2-(acetamidomethylidene)butanedioic acid

> <FORMULA>
C7H9NO5

> <MASS>
187.15010

> <MONOISOTOPIC_MASS>
187.04807

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b5-3-

> <INCHIKEY>
CPBSBMPDIRRVGP-HYXAFXHYSA-N

> <REAXYS_REGISTRY_NUMBER>
2102480

> <KEGG_COMPOUND_ACCESSION>
C01215

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