Marvin  08240621302D          

  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  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
    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  END
> <ID>
CHEBI:18347

> <NAME>
L-norleucine

> <DEFINITION>
A non-proteinogenic L-α-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44414; CHEBI:44357; CHEBI:44556; CHEBI:6276; CHEBI:13055; CHEBI:21204

> <SYNONYM>
NORLEUCINE; norleucine; Nle; L-Norleucine; L-Aminohexanoic acid; L-Aminohexanoate; L-2-Aminohexanoic acid; L-2-Aminohexanoate; L-(+)-norleucine; L-(+)-Norleucine; L(+)-norleucine; Glycoleucine; Caprine; alpha-aminocaproic acid; 2-Aminohexanoic acid; 2-Aminocaproic acid; (S)-2-Aminohexanoic acid; (S)-2-Aminohexanoic acid

> <IUPAC_NAME>
L-norleucine; (2S)-2-aminohexanoic acid

> <FORMULA>
C6H13NO2

> <MASS>
131.17296

> <MONOISOTOPIC_MASS>
131.09463

> <CHARGE>
0

> <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)/t5-/m0/s1

> <INCHIKEY>
LRQKBLKVPFOOQJ-YFKPBYRVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721750

> <CAS_REGISTRY_NUMBER>
327-57-1

> <GMELIN_REGISTRY_NUMBER>
261032

> <REAXYS_REGISTRY_NUMBER>
1721750

> <CHEMIDPLUS>
327-57-1

> <DRUGBANK_ACCESSION>
DB04419

> <KEGG_COMPOUND_ACCESSION>
C01933

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01100042

> <METACYC_ACCESSION>
L-2-AMINOHEXANOATE

> <NIST_CHEMISTRY_WEBBOOK>
327-57-1

> <PDBECHEM_ACCESSION>
NLE

> <WIKIPEDIA_ACCESSION>
Norleucine

$$$$