Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GT0 : Summary

Code

GT0

One-letter code

X

Molecule name

5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
OpenEye OEToolkits 1.7.6 5-(hydroxymethyl)-4-(methoxymethyl)-2-methyl-pyridin-3-ol

Formula

C9 H13 N O3

Formal charge

0

Molecular weight

183.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1c(c(cnc1C)CO)COC
SMILES CACTVS 3.370 COCc1c(O)c(C)ncc1CO
SMILES OpenEye OEToolkits 1.7.6 Cc1c(c(c(cn1)CO)COC)O
Canonical SMILES CACTVS 3.370 COCc1c(O)c(C)ncc1CO
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(c(c(cn1)CO)COC)O

IUPAC InChI

InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3

IUPAC InChI key

SVINQHQHARVZFF-UHFFFAOYSA-N
GT0

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned