Chemical Components in the PDB

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DXP : Summary

Code

DXP

One-letter code

X

Molecule name

1-DEOXY-D-XYLULOSE-5-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-deoxy-5-O-phosphono-D-xylulose
OpenEye OEToolkits 1.5.0 [(2R,3S)-2,3-dihydroxy-4-oxo-pentyl] dihydrogen phosphate

Formula

C5 H11 O7 P

Formal charge

0

Molecular weight

214.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)C(=O)C
SMILES CACTVS 3.341 CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)C(C(COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 CC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1

IUPAC InChI key

AJPADPZSRRUGHI-RFZPGFLSSA-N
DXP

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned