Chemical Components in the PDB

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PRP : Summary

Code

PRP

One-letter code

X

Molecule name

1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose

Systematic names

ProgramVersionName
ACDLabs 10.04 1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate

Formula

C5 H13 O14 P3

Formal charge

0

Molecular weight

390.07 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
SMILES CACTVS 3.341 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

IUPAC InChI key

PQGCEDQWHSBAJP-TXICZTDVSA-N
PRP

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

RIB

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned