Ketcher 11211915072D 1   1.00000     0.00000     0

  8  7  0     1  0            999 V2000
   10.8645  -21.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9985  -21.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645  -20.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9985  -22.9535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1325  -21.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2664  -21.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7305  -21.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4004  -21.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  2  4  1  1     0  0
  2  5  1  0     0  0
  5  6  1  0     0  0
  7  1  1  0     0  0
  8  6  1  0     0  0
M  END
> <ID>
CHEBI:18314

> <NAME>
L-2-aminopentanoic acid

> <DEFINITION>
A 2-aminopentanoic acid that has S-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21205; CHEBI:44538; CHEBI:6278; CHEBI:13056

> <SYNONYM>
L-norvaline; L-Norvaline; L-2-aminovaleric acid; L-2-Aminovaleric acid; L-2-aminopentanoic acid; L-2-Aminopentanoic acid; (S)-2-Aminopentanoic acid

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

> <FORMULA>
C5H11NO2

> <MASS>
117.148

> <MONOISOTOPIC_MASS>
117.07898

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

> <INCHIKEY>
SNDPXSYFESPGGJ-BYPYZUCNSA-N

> <CAS_REGISTRY_NUMBER>
6600-40-4

> <REAXYS_REGISTRY_NUMBER>
1721162

> <CHEMIDPLUS>
6600-40-4

> <KEGG_COMPOUND_ACCESSION>
C01826

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01100041

> <METACYC_ACCESSION>
L-2-AMINOPENTANOIC-ACID

> <NIST_CHEMISTRY_WEBBOOK>
6600-40-4

> <PDBECHEM_ACCESSION>
NVA

> <WIKIPEDIA_ACCESSION>
Norvaline

> <PUBMED_CITATION>
24206068; 30288668; 30703532; 31089055; 31540372; 31861122; 32123601; 32149110; 33524560; 35398371; 35543360; 783153

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