Marvin  07291311212D          

 17 17  0  0  1  0            999 V2000
   13.9230   -4.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9230   -3.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2086   -4.9934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4940   -4.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2086   -5.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7796   -4.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0651   -4.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7796   -5.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0651   -6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507   -5.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507   -4.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6361   -6.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -4.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9217   -5.8184    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9217   -4.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2072   -6.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1352   -6.6153    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  6  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:74959

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

> <DEFINITION>
A D-tyrosine derivative that is D-tyrosine phosphorylated at the phenolic hydroxy group.

> <STAR>
3

> <SYNONYM>
O-phospho-D-tyrosine

> <IUPAC_NAME>
O-phosphono-D-tyrosine

> <FORMULA>
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-/m1/s1

> <INCHIKEY>
DCWXELXMIBXGTH-MRVPVSSYSA-N

> <REAXYS_REGISTRY_NUMBER>
13579292

> <METACYC_ACCESSION>
CPD-3729

$$$$