Chemical Components in the PDB

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OLO : Summary

Code

OLO

One-letter code

X

Molecule name

OLOMOUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol
OpenEye OEToolkits 1.5.0 2-[[9-methyl-6-(phenylmethylamino)purin-2-yl]amino]ethanol

Formula

C15 H18 N6 O

Formal charge

0

Molecular weight

298.343 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(ncn1C)c(nc2NCCO)NCc3ccccc3
SMILES CACTVS 3.341 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
Canonical SMILES CACTVS 3.341 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO

IUPAC InChI

InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)

IUPAC InChI key

GTVPOLSIJWJJNY-UHFFFAOYSA-N
OLO

wwPDB Information

Atom count

40 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned