Chemical Components in the PDB

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MTY : Summary

Code

MTY

One-letter code

Y

Molecule name

META-TYROSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-hydroxy-L-phenylalanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(3-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)Cc1cc(O)ccc1
SMILES CACTVS 3.341 N[CH](Cc1cccc(O)c1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1cccc(O)c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)C[C@@H](C(=O)O)N

IUPAC InChI

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

IUPAC InChI key

JZKXXXDKRQWDET-QMMMGPOBSA-N

Is part of

ZXX
MTY

wwPDB Information

Atom count

24 (13 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

2023-11-03

Status

Released

Obsoleted

Not Assigned