Chemical Components in the PDB

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5HN : Summary

Code

5HN

One-letter code

X

Molecule name

5-hydroxypyridine-3-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 5-hydroxypyridine-3-carboxylic acid
OpenEye OEToolkits 1.7.6 5-oxidanylpyridine-3-carboxylic acid

Formula

C6 H5 N O3

Formal charge

0

Molecular weight

139.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1cncc(O)c1
SMILES CACTVS 3.370 Oc1cncc(c1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1c(cncc1O)C(=O)O
Canonical SMILES CACTVS 3.370 Oc1cncc(c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(cncc1O)C(=O)O

IUPAC InChI

InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)

IUPAC InChI key

ATTDCVLRGFEHEO-UHFFFAOYSA-N
5HN

wwPDB Information

Atom count

15 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-01

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned