Marvin  12110913302D          

 17 17  0  0  0  0            999 V2000
   14.1216  -16.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1216  -15.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4071  -17.1760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6926  -16.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4071  -18.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9781  -17.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2636  -16.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9781  -18.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2636  -18.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492  -18.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492  -17.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346  -18.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8361  -17.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202  -18.0010    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202  -17.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4057  -18.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3337  -18.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13  1  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <ID>
CHEBI:37788

> <NAME>
O(4)-phospho-L-tyrosine

> <DEFINITION>
A non-proteinogenic L-?-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21991; CHEBI:45080; CHEBI:45158; CHEBI:45209; CHEBI:45187; CHEBI:8171

> <SYNONYM>
tyrosine phosphate; Phosphotyrosine; Phosphonotyrosine; O-phosphotyrosine; O-phosphono-L-tyrosine; O-phospho-L-tyrosine

> <IUPAC_NAME>
O(4)-phosphono-L-tyrosine

> <FORMULA>
C9H12NO6P; C9H12NO6P

> <MASS>
261.16840

> <MONOISOTOPIC_MASS>
261.04022

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1

> <INCHIKEY>
DCWXELXMIBXGTH-QMMMGPOBSA-N

> <CAS_REGISTRY_NUMBER>
21820-51-9

> <REAXYS_REGISTRY_NUMBER>
3150815

> <CHEMIDPLUS>
21820-51-9

> <DRUGBANK_ACCESSION>
DB01962

> <KEGG_COMPOUND_ACCESSION>
C06501

> <PDBECHEM_ACCESSION>
PTR

> <PUBMED_CITATION>
11400052; 11782793; 11992381; 1382614; 15022197; 16240095; 16926509; 1718554; 18627164; 2415179; 2477282; 2576051; 30398859; 7678776; 8041296; 8603380; 9784397

$$$$