Marvin  11150614032D          

 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  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
  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
M  END
> <ID>
CHEBI:37023

> <NAME>
L-2-aminoadipic acid

> <DEFINITION>
The L-enantiomer of 2-aminoadipic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46332; CHEBI:6161; CHEBI:21201

> <SYNONYM>
L-alpha-Aminoadipic acid; L-alpha-Aminoadipate; L-2-Aminohexanedioate; L-2-Aminoadipic acid; L-2-Aminoadipate; (S)-2-aminohexanedioic acid

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

> <FORMULA>
C6H11NO4

> <MASS>
161.15588

> <MONOISOTOPIC_MASS>
161.06881

> <CHARGE>
0

> <SMILES>
N[C@@H](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)/t4-/m0/s1

> <INCHIKEY>
OYIFNHCXNCRBQI-BYPYZUCNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724348

> <CAS_REGISTRY_NUMBER>
542-32-5

> <REAXYS_REGISTRY_NUMBER>
1724348

> <CHEMIDPLUS>
1118-90-7

> <KEGG_COMPOUND_ACCESSION>
C00956

> <KNAPSACK_ACCESSION>
C00007393

> <METACYC_ACCESSION>
CPD-468

> <PDBECHEM_ACCESSION>
UN1

> <PUBMED_CITATION>
22589427; 7205262; 8899651

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