Marvin  10060914402D          

 12 11  0  0  0  0            999 V2000
    9.6486   -5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3631   -5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776   -5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7920   -5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5065   -5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2209   -5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9353   -5.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2209   -6.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9342   -5.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6486   -4.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3631   -6.4738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776   -4.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
M  END
> <ID>
CHEBI:28095

> <NAME>
2-amino-3-oxoadipic acid

> <DEFINITION>
A 1,6-dicarboxylic acid compound having an amino substituent at the 2-position and an oxo substituent at the 3-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19449; CHEBI:997

> <SYNONYM>
2-Amino-3-oxohexanedioic acid; 2-Amino-3-oxoadipate; 2-amino-3-oxo-hexanedioic acid

> <IUPAC_NAME>
2-amino-3-oxohexanedioic acid

> <FORMULA>
C6H9NO5

> <MASS>
175.13940

> <MONOISOTOPIC_MASS>
175.04807

> <CHARGE>
0

> <SMILES>
NC(C(O)=O)C(=O)CCC(O)=O

> <INCHI>
InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)

> <INCHIKEY>
HXWZRYKURKEOSO-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C05520

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01100036

$$$$