Marvin  06260610312D          

 15 16  0  0  1  0            999 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  1  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  END
> <ID>
CHEBI:16828

> <NAME>
L-tryptophan

> <DEFINITION>
The L-enantiomer of tryptophan.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21407; CHEBI:45988; CHEBI:46125; CHEBI:46086; CHEBI:46225; CHEBI:184633; CHEBI:6310; CHEBI:13178

> <SYNONYM>
W; TRYPTOPHAN; Tryptophan; Trp; L-tryptophan; L-Tryptophan; L-beta-3-indolylalanine; L-(-)-tryptophan; (S)-tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; (S)-alpha-amino-1H-indole-3-propanoic acid; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

> <IUPAC_NAME>
L-tryptophan

> <INN>
tryptophan

> <FORMULA>
C11H12N2O2

> <MASS>
204.22526

> <MONOISOTOPIC_MASS>
204.08988

> <CHARGE>
0

> <SMILES>
N[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

> <BEILSTEIN_REGISTRY_NUMBER>
86197

> <CAS_REGISTRY_NUMBER>
73-22-3

> <GMELIN_REGISTRY_NUMBER>
51434

> <REAXYS_REGISTRY_NUMBER>
86197

> <CHEMIDPLUS>
73-22-3

> <DRUGBANK_ACCESSION>
DB00150

> <ECMDB_ACCESSION>
ECMDB00929

> <KEGG_COMPOUND_ACCESSION>
C00078

> <KEGG_DRUG_ACCESSION>
D00020

> <KNAPSACK_ACCESSION>
C00001396

> <METACYC_ACCESSION>
TRP

> <NIST_CHEMISTRY_WEBBOOK>
73-22-3

> <PDBECHEM_ACCESSION>
TRP

> <WIKIPEDIA_ACCESSION>
Tryptophan

> <YMDB_ACCESSION>
YMDB00126

> <PUBMED_CITATION>
11395471; 11750787; 11888576; 12766158; 12830226; 12871129; 15206750; 16740930; 16934873; 17127472; 17177562; 17430113; 17585690; 17690425; 17826001; 18234569; 18419734; 18949702; 19896323; 21856896; 22071091; 22162421; 22299628; 22386992; 22402312; 22415302; 22415306; 2917974

$$$$