Chemical Components in the PDB

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5UD : Summary

Code

5UD

One-letter code

X

Molecule name

5-FLUOROURIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-fluorouridine
OpenEye OEToolkits 1.5.0 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidine-2,4-dione

Formula

C9 H11 F N2 O6

Formal charge

0

Molecular weight

262.192 Da

SMILES

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

IUPAC InChI

InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

IUPAC InChI key

FHIDNBAQOFJWCA-UAKXSSHOSA-N
5UD

wwPDB Information

Atom count

29 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned