Marvin  12110717242D          

 12 12  0  0  1  0            999 V2000
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  2  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
> <ID>
CHEBI:17295

> <NAME>
L-phenylalanine

> <DEFINITION>
The L-enantiomer of phenylalanine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45079; CHEBI:44851; CHEBI:44885; CHEBI:6282; CHEBI:13151; CHEBI:21370

> <SYNONYM>
PHENYLALANINE; Phe; L-Phenylalanine; F; beta-phenyl-L-alanine; 3-phenyl-L-alanine; (S)-alpha-Amino-beta-phenylpropionic acid; (S)-2-Amino-3-phenylpropionic acid

> <IUPAC_NAME>
L-phenylalanine; (2S)-2-amino-3-phenylpropanoic acid

> <FORMULA>
C9H11NO2

> <MASS>
165.18918

> <MONOISOTOPIC_MASS>
165.07898

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1ccccc1)C(O)=O

> <INCHI>
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

> <INCHIKEY>
COLNVLDHVKWLRT-QMMMGPOBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1910408

> <CAS_REGISTRY_NUMBER>
63-91-2

> <GMELIN_REGISTRY_NUMBER>
50837

> <REAXYS_REGISTRY_NUMBER>
1910408

> <CHEMIDPLUS>
63-91-2

> <DRUGBANK_ACCESSION>
DB00120

> <ECMDB_ACCESSION>
ECMDB00159

> <KEGG_COMPOUND_ACCESSION>
C00079

> <KEGG_DRUG_ACCESSION>
D00021

> <KNAPSACK_ACCESSION>
C00001386

> <METACYC_ACCESSION>
PHE

> <NIST_CHEMISTRY_WEBBOOK>
63-91-2

> <PDBECHEM_ACCESSION>
PHE

> <WIKIPEDIA_ACCESSION>
Phenylalanine

> <YMDB_ACCESSION>
YMDB00304

> <PUBMED_CITATION>
13945318; 16893175; 17784858; 21203787; 21956539; 22081386; 22112574; 22143120; 22209218; 22494897; 23836015; 24464217; 24733517; 24966042

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