The Biofilms Structural Database

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PHOSPHONOTYROSINE

6U1Q

Code

PTR

Name

O-PHOSPHOTYROSINE

Molecular Weight

261.17

Isomeric SMILES

c1cc(ccc1C[[email protected]@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