Chemical Components in the PDB

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TYU : Summary

Code

TYU

One-letter code

N

Molecule name

TETRAHYDROURIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one
OpenEye OEToolkits 1.5.0 (4R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

Formula

C9 H16 N2 O6

Formal charge

0

Molecular weight

248.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH]([CH](O)[CH]1O)N2CC[CH](O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC[C@@H](O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

IUPAC InChI

InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1

IUPAC InChI key

UCKYOOZPSJFJIZ-FMDGEEDCSA-N
TYU

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2004-11-11

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned