Chemical Components in the PDB

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DUC : Summary

Code

DUC

One-letter code

X

Molecule name

DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE

Synonyms

DIHYDROURACIL

Systematic names

ProgramVersionName
ACDLabs 10.04 dihydropyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 1,3-diazinane-2,4-dione

Formula

C4 H6 N2 O2

Formal charge

0

Molecular weight

114.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)NCC1
SMILES CACTVS 3.341 O=C1CCNC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1CNC(=O)NC1=O
Canonical SMILES CACTVS 3.341 O=C1CCNC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CNC(=O)NC1=O

IUPAC InChI

InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)

IUPAC InChI key

OIVLITBTBDPEFK-UHFFFAOYSA-N
DUC

wwPDB Information

Atom count

14 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-03-18

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned