Marvin  06260611392D          

 13 13  0  0  1  0            999 V2000
    1.8098    1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    0.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    0.2233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0953   -0.6017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770   -1.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <ID>
CHEBI:17895

> <NAME>
L-tyrosine

> <DEFINITION>
An optically active form of tyrosine having L-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46070; CHEBI:46161; CHEBI:6313; CHEBI:13181; CHEBI:21411

> <SYNONYM>
Y; Tyrosine; TYROSINE; Tyr; L-Tyrosine; L-Tyrosin; 4-hydroxy-L-phenylalanine; (S)-Tyrosine; (S)-alpha-amino-4-hydroxybenzenepropanoic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-(-)-Tyrosine; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (-)-alpha-amino-p-hydroxyhydrocinnamic acid

> <IUPAC_NAME>
L-tyrosine

> <FORMULA>
C9H11NO3

> <MASS>
181.18858

> <MONOISOTOPIC_MASS>
181.07389

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1ccc(O)cc1)C(O)=O

> <INCHI>
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

> <INCHIKEY>
OUYCCCASQSFEME-QMMMGPOBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
392441

> <CAS_REGISTRY_NUMBER>
60-18-4

> <GMELIN_REGISTRY_NUMBER>
50929

> <REAXYS_REGISTRY_NUMBER>
392441

> <CHEMIDPLUS>
60-18-4

> <DRUGBANK_ACCESSION>
DB00135

> <ECMDB_ACCESSION>
ECMDB00158

> <KEGG_COMPOUND_ACCESSION>
C00082

> <KEGG_DRUG_ACCESSION>
D00022

> <KNAPSACK_ACCESSION>
C00001397

> <METACYC_ACCESSION>
TYR

> <NIST_CHEMISTRY_WEBBOOK>
60-18-4

> <PDBECHEM_ACCESSION>
TYR

> <WIKIPEDIA_ACCESSION>
Tyrosine

> <YMDB_ACCESSION>
YMDB00364

> <PUBMED_CITATION>
15171683; 22360849; 22402312

$$$$