Chemical Components in the PDB

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0GZ : Summary

Code

0GZ

One-letter code

X

Molecule name

2-oxo-2H-pyran-4,6-dicarboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-oxo-2H-pyran-4,6-dicarboxylic acid
OpenEye OEToolkits 1.7.6 6-oxidanylidenepyran-2,4-dicarboxylic acid

Formula

C7 H4 O6

Formal charge

0

Molecular weight

184.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1OC(=CC(C(=O)O)=C1)C(=O)O
SMILES CACTVS 3.370 OC(=O)C1=CC(=CC(=O)O1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1=C(C=C(OC1=O)C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)C1=CC(=CC(=O)O1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=C(C=C(OC1=O)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)

IUPAC InChI key

VRMXCPVFSJVVCA-UHFFFAOYSA-N
0GZ

wwPDB Information

Atom count

17 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-13

Last modified at

2012-01-20

Status

Released

Obsoleted

Not Assigned