Chemical Components in the PDB

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FHU : Summary

Code

FHU

One-letter code

U

Molecule name

(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-1,4-anhydro-1-[(4R,5S)-5-fluoro-4-hydroxy-2,6-dioxohexahydropyrimidin-5-yl]-5-O-phosphono-D-ribitol
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-[(4R,5S)-5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H14 F N2 O10 P

Formal charge

0

Molecular weight

360.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O
SMILES CACTVS 3.341 O[CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)C2(C(NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H]1NC(=O)NC(=O)[C@]1(F)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C9H14FN2O10P/c10-9(6(15)11-8(17)12-7(9)16)5-4(14)3(13)2(22-5)1-21-23(18,19)20/h2-6,13-15H,1H2,(H2,18,19,20)(H2,11,12,16,17)/t2-,3-,4-,5-,6-,9+/m1/s1

IUPAC InChI key

MDODZQNHCLANBT-ZTZBTGHISA-N
FHU

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2001-11-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned