UPP

PHENYL-URIDINE-5'-DIPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where UPP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	6
Bond Count	51
Aromatic Bond Count	6

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Chemical Component Summary
Name	PHENYL-URIDINE-5'-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phenoxy-phosphoryl) hydrogen phosphate
Formula	C₁₅ H₁₈ N₂ O₁₂ P₂
Molecular Weight	480.257
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI	InChI	1.03	InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
InChIKey	InChI	1.03	ZHUWBKDWWGKIEN-FMKGYKFTSA-N

Drug Info: DrugBank

DrugBank ID	DB02790
Name	Phenyl-uridine-5'-diphosphate
Groups	experimental
Synonyms	Phenyl-uridine-5'-diphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
UDP-glucose 4-epimerase	MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGK...	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