Chemical Components in the PDB

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PXM : Summary

Code

PXM

One-letter code

X

Molecule name

4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL

Synonyms

PYRIDOXAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
OpenEye OEToolkits 1.5.0 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol

Formula

C8 H12 N2 O2

Formal charge

0

Molecular weight

168.193 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1c(c(cnc1C)CO)CN
SMILES CACTVS 3.341 Cc1ncc(CO)c(CN)c1O
SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)CO)CN)O
Canonical SMILES CACTVS 3.341 Cc1ncc(CO)c(CN)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)CO)CN)O

IUPAC InChI

InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3

IUPAC InChI key

NHZMQXZHNVQTQA-UHFFFAOYSA-N
PXM

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-11-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned