Marvin  03240915302D          

 14 13  0  0  1  0            999 V2000
   -2.5006    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0717   -1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 10  4  1  0  0  0  0
  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <ID>
CHEBI:31885

> <NAME>
N-acetyl-L-2-aminoadipic acid

> <DEFINITION>
An N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent.

> <STAR>
3

> <SYNONYM>
N2-Acetyl-L-aminoadipate

> <IUPAC_NAME>
(2S)-2-acetamidohexanedioic acid

> <FORMULA>
C8H13NO5

> <MASS>
203.19250

> <MONOISOTOPIC_MASS>
203.07937

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1

> <INCHIKEY>
FTTGAAZKBNZDCZ-LURJTMIESA-N

> <REAXYS_REGISTRY_NUMBER>
21132196

> <KEGG_COMPOUND_ACCESSION>
C12986

> <PUBMED_CITATION>
22770225

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