Chemical Components in the PDB

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GK0 : Summary

Code

GK0

One-letter code

X

Molecule name

3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide

Formula

C14 H12 N2 O7

Formal charge

0

Molecular weight

320.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O
SMILES OpenEye OEToolkits 2.0.4 c1c(cc(c(c1O)O)O)C=NNC(=O)c2cc(c(c(c2)O)O)O
Canonical SMILES CACTVS 3.385 Oc1cc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O
Canonical SMILES OpenEye OEToolkits 2.0.4 c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O

IUPAC InChI

InChI=1S/C14H12N2O7/c17-8-1-6(2-9(18)12(8)21)5-15-16-14(23)7-3-10(19)13(22)11(20)4-7/h1-5,17-22H,(H,16,23)/b15-5+

IUPAC InChI key

PYWCMFFRTOJYQJ-PJQLUOCWSA-N
GK0

wwPDB Information

Atom count

35 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-11-17

Last modified at

2016-08-24

Status

Released

Obsoleted

Not Assigned