Chemical Components in the PDB

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E7Z : Summary

Code

E7Z

One-letter code

X

Molecule name

1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

Formula

C7 H7 N O4

Formal charge

0

Molecular weight

169.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C=C(O)C(=O)C=C1C(O)=O
SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C(=O)C=C1C(=O)O)O
Canonical SMILES CACTVS 3.385 CN1C=C(O)C(=O)C=C1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C(=O)C=C1C(=O)O)O

IUPAC InChI

InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)

IUPAC InChI key

XWHROGRDGWNCHV-UHFFFAOYSA-N
E7Z

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-27

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned