Chemical Components in the PDB

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GNM : Summary

Code

GNM

One-letter code

X

Molecule name

8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
OpenEye OEToolkits 2.0.6 8-bromanyl-4-oxidanylidene-1~{H}-quinoline-3-carboxylic acid

Formula

C10 H6 Br N O3

Formal charge

0

Molecular weight

268.064 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br
SMILES CACTVS 3.385 OC(=O)C1=CNc2c(Br)cccc2C1=O
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C1=CNc2c(Br)cccc2C1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O

IUPAC InChI

InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)

IUPAC InChI key

NKUGXZLINWIUOR-UHFFFAOYSA-N
GNM

wwPDB Information

Atom count

21 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-30

Last modified at

2019-05-24

Status

Released

Obsoleted

Not Assigned