Marvin  11150614162D          

 11 10  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  3  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
  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  0  0  0  0
M  END
> <ID>
CHEBI:37024

> <NAME>
2-aminoadipic acid

> <DEFINITION>
An α-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:64698

> <SYNONYM>
DL-alpha-Aminoadipic acid; DL-alpha-Aminoadipic acid; DL-2-Aminohexanedioic acid; DL-2-Aminoadipic acid; aminoadipic acid; alpha-aminoadipic acid; alpha-Aminoadipic acid; Aad; 2-aminoadipic acid; (+/-)-2-Aminoadipic acid

> <IUPAC_NAME>
2-aminohexanedioic acid

> <FORMULA>
C6H11NO4

> <MASS>
161.15588

> <MONOISOTOPIC_MASS>
161.06881

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)

> <INCHIKEY>
OYIFNHCXNCRBQI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1773077

> <CAS_REGISTRY_NUMBER>
542-32-5

> <REAXYS_REGISTRY_NUMBER>
1724349

> <CHEMIDPLUS>
542-32-5

> <WIKIPEDIA_ACCESSION>
Alpha-Aminoadipic_acid

> <PUBMED_CITATION>
22264337; 31148; 6462455

$$$$