Chemical Components in the PDB

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7RP : Summary

Code

7RP

One-letter code

X

Molecule name

7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purine
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5S)-3,4-dihydroxy-5-purin-7-yl-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H13 N4 O7 P

Formal charge

0

Molecular weight

332.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O
SMILES CACTVS 3.341 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ncncc23
SMILES OpenEye OEToolkits 1.5.0 c1c2c(ncn1)ncn2C3C(C(C(O3)COP(=O)(O)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)n2cnc3ncncc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1

IUPAC InChI key

NICKPTPNIMHUHB-DQUBFYRCSA-N
7RP

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-03-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned