NCN

NICOTINATE MONONUCLEOTIDE

Created: 1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count4
Bond Count37
Aromatic Bond Count6
2D diagram of NCN
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Chemical Component Summary

NameNICOTINATE MONONUCLEOTIDE
SynonymsNAMN
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
FormulaC11 H14 N O9 P
Molecular Weight335.204
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)([O-])=O)[n+]2cccc(c2)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)([O-])=O)[n+]2cccc(c2)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O
InChIInChI1.03 InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1
InChIKeyInChI1.03 JOUIQRNQJGXQDC-ZYUZMQFOSA-N

Drug Info: DrugBank

DrugBank IDDB02382 
NameNamn
Groups experimental
SynonymsNamn

Drug Targets

NameTarget SequencePharmacological ActionActions
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferaseMQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...unknown
Nicotinate-nucleotide pyrophosphorylase [carboxylating]MGLSDWELAAARAAIARGLDEDLRYGPDVTTLATVPASATTTASLVTREA...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 5288991, 121991