Chemical Components in the PDB

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MHW : Summary

Code

MHW

One-letter code

X

Molecule name

3-HYDROXYPICOLINIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-hydroxypyridine-2-carboxylic acid
OpenEye OEToolkits 1.6.1 3-hydroxypyridine-2-carboxylic acid

Formula

C6 H5 N O3

Formal charge

0

Molecular weight

139.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1ncccc1O
SMILES CACTVS 3.352 OC(=O)c1ncccc1O
SMILES OpenEye OEToolkits 1.6.1 c1cc(c(nc1)C(=O)O)O
Canonical SMILES CACTVS 3.352 OC(=O)c1ncccc1O
Canonical SMILES OpenEye OEToolkits 1.6.1 c1cc(c(nc1)C(=O)O)O

IUPAC InChI

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

IUPAC InChI key

BRARRAHGNDUELT-UHFFFAOYSA-N
MHW

wwPDB Information

Atom count

15 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned