DU

2'-DEOXYURIDINE-5'-MONOPHOSPHATE

Created:	2001-06-01
Last modified:	2011-06-04

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8 entries where DU is found as a standalone ligand1 entries where DU is covalently linked to polymer or other heterogen groups 117 entries where DU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	0

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Chemical Component Summary
Name	2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₃ N₂ O₈ P
Molecular Weight	308.182
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	InChI	1.03	JSRLJPSBLDHEIO-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank ID	DB03800
Name	Deoxyuridine monophosphate
Groups	experimental
Synonyms	2'-deoxyuridine 5'-monophosphate Deoxyuridine 5'-phosphate dUMP Deoxyuridine monophosphate Deoxyuridylate Deoxyuridylic acid 2'-Deoxyuridine 5'-phosphate
Categories	Deoxyribonucleotides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Uracil Nucleotides
CAS number	964-26-1

Drug Targets

Name	Target Sequence	Pharmacological Action
Deoxyuridine 5'-triphosphate nucleotidohydrolase	MKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLV...	unknown
Thymidylate synthase	MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTK...	unknown
Thymidylate synthase	MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...	unknown
Thymidylate synthase	MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDR...	unknown
Thymidylate synthase ThyX	MKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEERDRHLIEYLMK...	unknown
Pol polyprotein	KEFGKLEGGASCSPSESNAASSNAICTSNGGETIGFVNYNKVGTTTTLEK...	unknown
Deoxyuridine 5'-triphosphate nucleotidohydrolase	MSTTLAIVRLDPGLPLPSRAHDGDAGVDLYSAEDVELAPGRRALVRTGVA...	unknown
Thymidylate synthase	MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFP...	unknown
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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