DUN

2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE

Created:	2004-07-09
Last modified:	2020-01-26

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4 entries where DUN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	4
Bond Count	40
Aromatic Bond Count	6

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Chemical Component Summary
Name	2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE
Synonyms	1-[2-DEOXY-5-O-[HYDROXY(PHOSPHONOAMINO)PHOSPHINYL]-BETA-D-ERYTHRO-PENTOFURANOSYL]-; 2,4(1H,3H)-PYRIMIDINEDIONE
Systematic Name (OpenEye OEToolkits)	[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]amino]phosphonic acid
Formula	C₉ H₁₅ N₃ O₁₀ P₂
Molecular Weight	387.177
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
SMILES	CACTVS	3.341	O[CH]1C[CH](O[CH]1CO[P](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(NP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)N[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)CO[P@@](=O)(NP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8+/m0/s1
InChIKey	InChI	1.03	COFNIXBQVWFHTR-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank ID	DB03641
Name	2'-deoxyuridine 5'-alpha,beta-imido-diphosphate
Groups	experimental
Synonyms	2'-deoxyuridine 5'-alpha,beta-imido-diphosphate 2'-Deoxy-5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]uridine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DUTPase	MTNIEILENMLKLQQKLNDETNGLNWENGYTKEGKLISWRRCIYMECAEL...	unknown

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