Chemical Components in the PDB

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TYR : Summary

Code

TYR

One-letter code

Y

Molecule name

TYROSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-tyrosine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Formula

C9 H11 N O3

Formal charge

0

Molecular weight

181.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc1ccc(O)cc1
SMILES CACTVS 3.341 N[CH](Cc1ccc(O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

IUPAC InChI key

OUYCCCASQSFEME-QMMMGPOBSA-N

Is part of

ZYA , 0EZ , 3EF , 3ES
TYR

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned