Chemical Components in the PDB

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7DM : Summary

Code

7DM

One-letter code

X

Molecule name

4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid
OpenEye OEToolkits 1.7.6 4-oxidanyl-2-oxidanylidene-1H-quinoline-6-carboxylic acid

Formula

C10 H7 N O4

Formal charge

0

Molecular weight

205.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c2ccc1c(C(O)=CC(=O)N1)c2
SMILES CACTVS 3.385 OC(=O)c1ccc2NC(=O)C=C(O)c2c1
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccc2NC(=O)C=C(O)c2c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O

IUPAC InChI

InChI=1S/C10H7NO4/c12-8-4-9(13)11-7-2-1-5(10(14)15)3-6(7)8/h1-4H,(H,14,15)(H2,11,12,13)

IUPAC InChI key

RPPMJWDFCWLZHA-UHFFFAOYSA-N

Is part of

XJ8 , R9B , 7P0
7DM

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-26

Last modified at

2015-02-06

Status

Released

Obsoleted

Not Assigned