Chemical Components in the PDB

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E1T : Summary

Code

E1T

One-letter code

X

Molecule name

1,8-naphthyridine-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1,8-naphthyridine-2-carboxylic acid

Formula

C9 H6 N2 O2

Formal charge

0

Molecular weight

174.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ccc2cccnc2n1
SMILES OpenEye OEToolkits 2.0.6 c1cc2ccc(nc2nc1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccc2cccnc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2ccc(nc2nc1)C(=O)O

IUPAC InChI

InChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)

IUPAC InChI key

SNLMOXFUCILIPL-UHFFFAOYSA-N
E1T

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-09

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned