Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DXD : Summary

Code

DXD

One-letter code

N

Molecule name

(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate

Formula

C6 H13 O6 P

Formal charge

0

Molecular weight

212.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC1CC(O)CC1O)(O)O
SMILES CACTVS 3.341 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1
SMILES OpenEye OEToolkits 1.5.0 C1C(CC(C1COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)C1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1

IUPAC InChI key

BSAJVOLDMHTVPM-SRQIZXRXSA-N
DXD

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2004-09-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned