CCV

6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE

Created:	2000-05-25
Last modified:	2020-06-05

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1 entries where CCV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

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Chemical Component Summary
Name	6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Synonyms	6-(DIHYDROXY-ISOBUTYL)-THYMINE
Systematic Name (OpenEye OEToolkits)	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
Formula	C₉ H₁₄ N₂ O₄
Molecular Weight	214.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=C(C(=O)N1)C)CC(CO)CO
SMILES	CACTVS	3.341	CC1=C(CC(CO)CO)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(NC(=O)NC1=O)CC(CO)CO
Canonical SMILES	CACTVS	3.341	CC1=C(CC(CO)CO)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(NC(=O)NC1=O)CC(CO)CO
InChI	InChI	1.03	InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
InChIKey	InChI	1.03	CLCPDSJUXHDRGX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02500
Name	6-(Dihydroxy-Isobutyl)-Thymine
Groups	experimental
Synonyms	6-(1,3-dihydroxyisobutyl)thymine 6-(Dihydroxyisobutyl)-Thymine 6-(Dihydroxy-Isobutyl)-Thymine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Thymidine kinase, cytosolic	MSCINLPTVLPGSPSKTRGQIQVILGPMFSGKSTELMRRVRRFQIAQYKC...	unknown	inhibitor
Thymidine kinase	MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLL...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682