Chemical Components in the PDB

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0U1 : Summary

Code

0U1

One-letter code

X

Molecule name

2'-METHYLSELENYL-2'-DEOXY-L-URIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.7.6 [(2S,3S,4S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methylselanyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H15 N2 O8 P Se

Formal charge

0

Molecular weight

401.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C([Se]C)C2O
SMILES CACTVS 3.385 C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.7.6 C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.385 C[Se][C@H]1[C@@H](O)[C@H](CO[P](O)(O)=O)O[C@@H]1N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C10H15N2O8PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1

IUPAC InChI key

PADIGPKUSVFCBC-ZITKLIBNSA-N
0U1

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Ribonucleotide

Type description

L-RNA LINKING

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-10-23

Last modified at

2015-04-24

Status

Released

Obsoleted

Not Assigned