Chemical Components in the PDB

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UD5 : Summary

Code

UD5

One-letter code

U

Molecule name

5-FLUOROURIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 5'-O-(dihydroxyphosphanyl)-5-fluorouridine
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphite

Formula

C9 H12 F N2 O8 P

Formal charge

0

Molecular weight

326.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(O)O
SMILES CACTVS 3.341 O[CH]1[CH](O)[CH](O[CH]1COP(O)O)N2C=C(F)C(=O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(O)O)O)O)F
Canonical SMILES CACTVS 3.341 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)O)N2C=C(F)C(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F

IUPAC InChI

InChI=1S/C9H12FN2O8P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(20-8)2-19-21(17)18/h1,4-6,8,13-14,17-18H,2H2,(H,11,15,16)/t4-,5-,6-,8-/m1/s1

IUPAC InChI key

OWIMOOFVTCJDCZ-UAKXSSHOSA-N
UD5

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2005-06-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned