Chemical Components in the PDB

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DBM : Summary

Code

DBM

One-letter code

N

Molecule name

9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-METHYLPURINE

Systematic names

ProgramVersionName
ACDLabs 10.04 9-(6-deoxy-beta-D-allofuranosyl)-6-methyl-9H-purine
OpenEye OEToolkits 1.5.0 (2R,3S,4R,5R)-2-(1-hydroxyethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol

Formula

C12 H16 N4 O4

Formal charge

0

Molecular weight

280.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C
SMILES CACTVS 3.341 C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23
SMILES OpenEye OEToolkits 1.5.0 Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O
Canonical SMILES CACTVS 3.341 C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(C)ncnc23
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O

IUPAC InChI

InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8+,9-,10-,12-/m1/s1

IUPAC InChI key

XJZDIUOABWMPLZ-FHQKJXBVSA-N
DBM

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2003-04-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned