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DRM : Summary

Code

DRM

One-letter code

U

Molecule name

{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 ({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid
OpenEye OEToolkits 1.5.0 [(1R,2R)-2-(2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid

Formula

C10 H15 N2 O6 P

Formal charge

0

Molecular weight

290.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O
SMILES CACTVS 3.341 O[P](O)(=O)CO[CH]1CCC[CH]1N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 C1CC(C(C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)CO[C@@H]1CCC[C@H]1N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O

IUPAC InChI

InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1

IUPAC InChI key

KKXMDNJBVSYDQL-HTQZYQBOSA-N
DRM

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DU

Defined at

2003-09-17

Last modified at

2020-05-27

Status

Released

Obsoleted

Not Assigned