Marvin  11010613062D          

 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  3  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  0  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:18186

> <NAME>
tyrosine

> <DEFINITION>
An α-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:15277; CHEBI:9800; CHEBI:27176

> <SYNONYM>
Y; Tyrosine; Tyrosine; Tyrosin; Tyr; tirosina; 3-(p-Hydroxyphenyl)alanine; 2-Amino-3-(p-hydroxyphenyl)propionic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid

> <IUPAC_NAME>
tyrosine

> <FORMULA>
C9H11NO3

> <MASS>
181.18858

> <MONOISOTOPIC_MASS>
181.07389

> <CHARGE>
0

> <SMILES>
NC(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)

> <INCHIKEY>
OUYCCCASQSFEME-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
515881

> <CAS_REGISTRY_NUMBER>
556-03-6

> <GMELIN_REGISTRY_NUMBER>
27744

> <REAXYS_REGISTRY_NUMBER>
515881

> <CHEMIDPLUS>
55520-40-6

> <KEGG_COMPOUND_ACCESSION>
C01536

> <KNAPSACK_ACCESSION>
C00001397

> <PUBMED_CITATION>
17190852

$$$$