Chemical Components in the PDB

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R52 : Summary

Code

R52

One-letter code

X

Molecule name

5-O-phosphono-D-ribose

Systematic names

ProgramVersionName
ACDLabs 10.04 5-O-phosphono-D-ribose
OpenEye OEToolkits 1.5.0 [(2R,3R,4R)-2,3,4-trihydroxy-5-oxo-pentyl] dihydrogen phosphate

Formula

C5 H11 O8 P

Formal charge

0

Molecular weight

230.11 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1

IUPAC InChI key

PPQRONHOSHZGFQ-LMVFSUKVSA-N
R52

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2008-06-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned