Chemical Components in the PDB

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RUS : Summary

Code

RUS

One-letter code

U

Molecule name

1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one
OpenEye OEToolkits 1.7.2 [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(4-oxidanylidene-2-selanyl-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H13 N2 O8 P Se

Formal charge

0

Molecular weight

387.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC2OC(N1C(=NC(=O)C=C1)[SeH])C(O)C2O
SMILES CACTVS 3.370 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)N=C2[SeH]
SMILES OpenEye OEToolkits 1.7.2 C1=CN(C(=NC1=O)[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.370 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)N=C2[SeH]
Canonical SMILES OpenEye OEToolkits 1.7.2 C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

OOOIYMZGLXSVKX-XVFCMESISA-N
RUS

wwPDB Information

Atom count

34 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2011-06-02

Last modified at

2011-06-24

Status

Released

Obsoleted

Not Assigned