Chemical Components in the PDB

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3HM : Summary

Code

3HM

One-letter code

X

Molecule name

5-hydroxy-6-methylpyridine-3-carboxylic acid

Synonyms

2-methyl-3-hydroxypyridine-5-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 5-hydroxy-6-methylpyridine-3-carboxylic acid
OpenEye OEToolkits 1.5.0 5-hydroxy-6-methyl-pyridine-3-carboxylic acid

Formula

C7 H7 N O3

Formal charge

0

Molecular weight

153.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1cnc(c(O)c1)C
SMILES CACTVS 3.341 Cc1ncc(cc1O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 Cc1c(cc(cn1)C(=O)O)O
Canonical SMILES CACTVS 3.341 Cc1ncc(cc1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(cc(cn1)C(=O)O)O

IUPAC InChI

InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)

IUPAC InChI key

NYEFWJFPBFRRKU-UHFFFAOYSA-N
3HM

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-25

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned