Chemical Components in the PDB

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TYS : Summary

Code

TYS

One-letter code

Y

Molecule name

O-SULFO-L-TYROSINE

Systematic names

ProgramVersionName
ACDLabs 12.01 O-sulfo-L-tyrosine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid

Formula

C9 H11 N O6 S

Formal charge

0

Molecular weight

261.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1
SMILES CACTVS 3.370 N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O

IUPAC InChI

InChI=1S/C9H11NO6S/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)(H,13,14,15)/t8-/m0/s1

IUPAC InChI key

CIQHWLTYGMYQQR-QMMMGPOBSA-N
TYS

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

1999-07-08

Last modified at

2012-11-26

Status

Released

Obsoleted

Not Assigned