Chemical Components in the PDB

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0U : Summary

Code

0U

One-letter code

U

Molecule name

L-URIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 11.02 1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.6.1 [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H13 N2 O9 P

Formal charge

0

Molecular weight

324.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
SMILES CACTVS 3.352 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.352 O[C@@H]1[C@H](O)[C@H](O[C@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1

IUPAC InChI key

DJJCXFVJDGTHFX-PSQAKQOGSA-N
0U

wwPDB Information

Atom count

34 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

L-RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2009-07-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned