The Biofilms Structural Database
|
|
The Biofilms Structural Database |
PHOSPHONOTYROSINE |
|
|---|---|
6U1Q |
|
Code
PTR | |
|
Name |
O-PHOSPHOTYROSINE |
|
Molecular Weight |
261.17 |
|
Isomeric SMILES |
c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O |
|
Formula |
C9H12NO6P |
|
Identifiers |
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid |
|
Formal Charge |
0 |
|
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 |
|
Atom Count |
29 |
|
InChIKey |
DCWXELXMIBXGTH-QMMMGPOBSA-N |
|
PDB codes |
6U1Q |
|
Type |
L-PEPTIDE LINKING |
|
Chiral Atom Count |
1 |
|
Chiral Atoms |
n/a |
|
Bond Count |
29 |
|
Aromatic Bond Count |
6 |
|
Leaving Atoms |
n/a |