5CU

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

Created:	2013-07-04
Last modified:	2013-10-02

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4 entries where 5CU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of 5CU

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Chemical Component Summary
Name	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid
Formula	C₅ H₄ N₂ O₄
Molecular Weight	156.096
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey	InChI	1.03	ZXYAAVBXHKCJJB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5280560, 90301
ChEMBL	CHEMBL1213478
ChEBI	CHEBI:17477
CCDC/CSD	AYEBIP, VEYHIT, IKIZAF, HOXHIM, IKIYUY, VEYLUJ, VEYLIX
COD	2203790, 2020467, 2020466

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.