Marvin  08240621352D          

  9  8  0  0  0  0            999 V2000
    0.3572    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
    2.5006   -0.2062    0.0000 O   0  5  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
    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   -1.0313    0.0000 N   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
  7  1  1  0  0  0  0
  7  5  1  0  0  0  0
  1  2  1  0  0  0  0
  5  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:21203

> <NAME>
L-2-aminohexanoate

> <DEFINITION>
An L-α-amino acid anion that is the  conjugate base of L-norleucine.

> <STAR>
3

> <SYNONYM>
L-norleucinate; L-Aminohexanoate; L-2-Aminohexanoate; (S)-2-aminohexanoate

> <IUPAC_NAME>
(2S)-2-aminohexanoate

> <FORMULA>
C6H12NO2

> <MASS>
130.16502

> <MONOISOTOPIC_MASS>
130.08735

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1/t5-/m0/s1

> <INCHIKEY>
LRQKBLKVPFOOQJ-YFKPBYRVSA-M

> <GMELIN_REGISTRY_NUMBER>
2380914

> <REAXYS_REGISTRY_NUMBER>
4964325

> <KEGG_COMPOUND_ACCESSION>
C01933

> <METACYC_ACCESSION>
L-2-AMINOHEXANOATE

$$$$