Marvin  05110714102D          

  9  8  0  0  1  0            999 V2000
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    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
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3572    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  6  4  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:38264

> <NAME>
2-amino-3-methylpentanoic acid

> <DEFINITION>
A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2.

> <STAR>
3

> <IUPAC_NAME>
2-amino-3-methylpentanoic acid

> <FORMULA>
C6H13NO2

> <MASS>
131.17296

> <MONOISOTOPIC_MASS>
131.09463

> <CHARGE>
0

> <SMILES>
CCC(C)C(N)C(O)=O

> <INCHI>
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

> <INCHIKEY>
AGPKZVBTJJNPAG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
443-79-8

> <REAXYS_REGISTRY_NUMBER>
1721790

> <CHEMIDPLUS>
443-79-8

> <KEGG_COMPOUND_ACCESSION>
C16434

> <PUBMED_CITATION>
10944265

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