Chemical Components in the PDB

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OMX : Summary

Code

OMX

One-letter code

Y

Molecule name

(betaR)-beta-hydroxy-L-Tyrosine

Systematic names

ProgramVersionName
ACDLabs 12.01 (betaR)-beta-hydroxy-L-tyrosine
OpenEye OEToolkits 1.7.6 (2S,3R)-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid

Formula

C9 H11 N O4

Formal charge

0

Molecular weight

197.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C(O)c1ccc(O)cc1
SMILES CACTVS 3.370 N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(C(C(=O)O)N)O)O
Canonical SMILES CACTVS 3.370 N[C@@H]([C@H](O)c1ccc(O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O

IUPAC InChI

InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1

IUPAC InChI key

RKCRKDKQUDBXAU-JGVFFNPUSA-N
OMX

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

2010-08-10

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned