Chemical Components in the PDB

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KLO : Summary

Code

KLO

One-letter code

X

Molecule name

5-(phenylmethyl)pyrimidine-2,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-(phenylmethyl)pyrimidine-2,4-diol

Formula

C11 H10 N2 O2

Formal charge

0

Molecular weight

202.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ncc(Cc2ccccc2)c(O)n1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2cnc(nc2O)O
Canonical SMILES CACTVS 3.385 Oc1ncc(Cc2ccccc2)c(O)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2cnc(nc2O)O

IUPAC InChI

InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)

IUPAC InChI key

RPZOVLGFKOOIRP-UHFFFAOYSA-N
KLO

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-05-30

Last modified at

2023-09-08

Status

Released

Obsoleted

Not Assigned