Chemical Components in the PDB

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0YG : Summary

Code

0YG

One-letter code

YG

Molecule name

N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid

Formula

C11 H12 N2 O4

Formal charge

0

Molecular weight

236.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1C=C(C(=O)NCC(=O)O)N)O
Canonical SMILES CACTVS 3.352 NC(=C\c1ccc(O)cc1)/C(=O)NCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O

IUPAC InChI

InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-

IUPAC InChI key

LQVABVRJNRHIKV-UITAMQMPSA-N
0YG

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide NH3 amino terminus

Type code

ATOMP

Is modified

Yes

Standard parent

TYR GLY

Defined at

2010-02-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned