Chemical Components in the PDB

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5HU : Summary

Code

5HU

One-letter code

U

Molecule name

5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0 [(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H15 N2 O9 P

Formal charge

0

Molecular weight

338.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1CO)C2OC(C(O)C2)COP(=O)(O)O
SMILES CACTVS 3.341 OCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.341 OCC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1

IUPAC InChI key

WEBVWKFGRVLCNS-XLPZGREQSA-N
5HU

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DU

Defined at

2002-09-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned