(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
  CDK    2/12/10,15:27

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0032   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -1.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025   -0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505    0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    0.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8124    1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1466    0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1466    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  9  2  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
 11 10  2  0  0  0  0 
 12 11  1  0  0  0  0 
 13 11  1  0  0  0  0 
 13 14  1  1  0  0  0 
 15 13  1  0  0  0  0 
  1 15  1  0  0  0  0 
M  CHG  1  12  -1
M  CHG  1  14   1
M  END
> <ID>
CHEBI:57912

> <NAME>
L-tryptophan zwitterion

> <DEFINITION>
An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tryptophan; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
tryptophan; L-tryptophan; (2S)-2-ammonio-3-(1H-indol-3-yl)propanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate

> <FORMULA>
C11H12N2O2

> <MASS>
204.22520

> <MONOISOTOPIC_MASS>
204.08988

> <CHARGE>
0

> <SMILES>
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C([O-])=O

> <INCHI>
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

> <INCHIKEY>
QIVBCDIJIAJPQS-VIFPVBQESA-N

> <GMELIN_REGISTRY_NUMBER>
1896155

> <METACYC_ACCESSION>
TRP

$$$$