Chemical Components in the PDB

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UEG : Summary

Code

UEG

One-letter code

X

Molecule name

4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
OpenEye OEToolkits 1.9.2 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol

Formula

C8 H11 N O3

Formal charge

0

Molecular weight

169.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1c(c(cnc1C)CO)CO
SMILES CACTVS 3.385 Cc1ncc(CO)c(CO)c1O
SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(c(cn1)CO)CO)O
Canonical SMILES CACTVS 3.385 Cc1ncc(CO)c(CO)c1O
Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(c(cn1)CO)CO)O

IUPAC InChI

InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

IUPAC InChI key

LXNHXLLTXMVWPM-UHFFFAOYSA-N
UEG

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-09-12

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned