Marvin  02040816202D          

 12 11  0  0  1  0            999 V2000
    0.0000    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  2  0  0  0  0
  7  2  1  0  0  0  0
 12  7  2  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <ID>
CHEBI:48429

> <NAME>
N-formyl-L-aspartic acid

> <DEFINITION>
A N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7277; CHEBI:21709

> <SYNONYM>
N-formyl-L-aspartic acid; N-Formyl-L-aspartate

> <IUPAC_NAME>
N-formyl-L-aspartic acid; (2S)-2-(formylamino)butanedioic acid

> <FORMULA>
C5H7NO5

> <MASS>
161.11282

> <MONOISOTOPIC_MASS>
161.03242

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1

> <INCHIKEY>
MQUUQXIFCBBFDP-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1725498

> <CAS_REGISTRY_NUMBER>
19427-28-2

> <REAXYS_REGISTRY_NUMBER>
1725498

> <CHEMIDPLUS>
19427-28-2

> <KEGG_COMPOUND_ACCESSION>
C01044

> <PUBMED_CITATION>
3308850; 5823108

$$$$