Chemical Components in the PDB

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PXC : Summary

Code

PXC

One-letter code

X

Molecule name

phenazine-1,6-dicarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 phenazine-1,6-dicarboxylic acid

Formula

C14 H8 N2 O4

Formal charge

0

Molecular weight

268.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12
SMILES OpenEye OEToolkits 1.7.0 c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.352 OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)

IUPAC InChI key

MJALVONLCNWZHK-UHFFFAOYSA-N
PXC

wwPDB Information

Atom count

28 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-12-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned