Marvin  04010818042D          

 17 16  0  0  1  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1  2  1  0  0  0  0
 10  2  2  0  0  0  0
  8  3  2  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  0  0  0  0
  4  6  1  1  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 17 15  1  0  0  0  0
 11  9  1  0  0  0  0
 13 11  2  0  0  0  0
 12 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <ID>
CHEBI:27657

> <NAME>
N-succinyl-L-glutamic 5-semialdehyde

> <DEFINITION>
A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7374; CHEBI:21820

> <SYNONYM>
N-Succinyl-L-glutamate 5-semialdehyde; N-(3-carboxypropanoyl)-5-oxo-L-norvaline; (2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid

> <IUPAC_NAME>
(2S)-2-[(3-carboxypropanoyl)amino]-5-oxopentanoic acid

> <FORMULA>
C9H13NO6

> <MASS>
231.20266

> <MONOISOTOPIC_MASS>
231.07429

> <CHARGE>
0

> <SMILES>
[H]C(=O)CC[C@H](NC(=O)CCC(O)=O)C(O)=O

> <INCHI>
InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1

> <INCHIKEY>
XTOKIEIBKARFSZ-LURJTMIESA-N

> <KEGG_COMPOUND_ACCESSION>
C05932

$$$$