UM3

2'-DEOXYURIDINE 3'-MONOPHOSPHATE

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

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count3
Bond Count34
Aromatic Bond Count6
2D diagram of UM3
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Chemical Component Summary

Name2'-DEOXYURIDINE 3'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
FormulaC9 H13 N2 O8 P
Molecular Weight308.182
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO
SMILESCACTVS3.341OC[CH]1O[CH](C[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyInChI1.03 LXKGKXYIAAKOCT-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank IDDB03448 
Name2'-Deoxyuridine 3'-Monophosphate
Groups experimental
Synonyms2'-Deoxyuridine 3'-Monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Ribonuclease pancreaticMALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...unknown
Ribonuclease 4MALQRTHSLLLLLLLTLLGLGLVQPSYGQDGMYQRFLRQHVHPEETGGSD...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

Related Resource References

Resource NameReference
PubChem 449392
ChEBI CHEBI:46322