Chemical Components in the PDB

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6PC : Summary

Code

6PC

One-letter code

X

Molecule name

PYRIDINE-2-CARBOXYLIC ACID

Synonyms

PICOLINIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 pyridine-2-carboxylic acid
OpenEye OEToolkits 1.5.0 pyridine-2-carboxylic acid

Formula

C6 H5 N O2

Formal charge

0

Molecular weight

123.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1ncccc1
SMILES CACTVS 3.341 OC(=O)c1ccccn1
SMILES OpenEye OEToolkits 1.5.0 c1ccnc(c1)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1ccccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccnc(c1)C(=O)O

IUPAC InChI

InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)

IUPAC InChI key

SIOXPEMLGUPBBT-UHFFFAOYSA-N

Is part of

RSY , RSZ
6PC

wwPDB Information

Atom count

14 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-05-23

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned