Chemical Components in the PDB

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5CU : Summary

Code

5CU

One-letter code

X

Molecule name

2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
OpenEye OEToolkits 1.7.6 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid

Formula

C5 H4 N2 O4

Formal charge

0

Molecular weight

156.096 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C(C(=O)O)=CNC(=O)N1
SMILES CACTVS 3.385 OC(=O)C1=CNC(=O)NC1=O
SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=O)NC(=O)N1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C1=CNC(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=O)NC(=O)N1)C(=O)O

IUPAC InChI

InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

IUPAC InChI key

ZXYAAVBXHKCJJB-UHFFFAOYSA-N
5CU

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-04

Last modified at

2013-09-27

Status

Released

Obsoleted

Not Assigned