Chemical Components in the PDB

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3DR : Summary

Code

3DR

One-letter code

N

Molecule name

1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE

Synonyms

ABASIC DIDEOXYRIBOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
OpenEye OEToolkits 1.5.0 [(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Formula

C5 H11 O6 P

Formal charge

0

Molecular weight

198.111 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC1OCCC1O)(O)O
SMILES CACTVS 3.341 O[CH]1CCO[CH]1CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1COC(C1O)COP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H]1CCO[C@@H]1CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CO[C@@H]([C@H]1O)COP(=O)(O)O

IUPAC InChI

InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1

IUPAC InChI key

BVOBPNSQIRMLCA-CRCLSJGQSA-N
3DR

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned