1.02011-09-21 00:12:52 UTC2015-07-21 06:57:10 UTCFDB022368Nicotine imineNicotine-delta 1'-(5')-iminium ion is an intermediate in the metabolic conversion of nicotine to cotinine. This product is generated by liver enzymes. [HMDB](S)-1-(methylene-11C)-2-(3-pyridinyl)-pyrrolidium(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium11C-nicotine iminenicotine iminenicotine iminiumnicotine-delta 1'-(5')-iminiumC10H13N2161.2236161.1078734261-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium74710-78-4C[N+]1=CCCC1C1=CC=CN=C1InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1GTQXYYYOJZZJHL-UHFFFAOYSA-N belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.Alkaloids and derivativesOrganic compoundsAlkaloids and derivativesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganic cationsOrganonitrogen compoundsOrganopnictogen compoundsPyridines and derivativesPyrrolinesAlkaloid or derivativesAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic cationOrganic nitrogen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundPyridinePyrrolinea small moleculeSolidlogp-1.95logs-2.96solubility2.14e-01 g/llogp-2.9pka_strongest_basic4.46iupac1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-iumaverage_mass161.2236mono_mass161.107873426smilesC[N+]1=CCCC1C1=CC=CN=C1formulaC10H13N2inchiInChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1inchikeyGTQXYYYOJZZJHL-UHFFFAOYSA-Npolar_surface_area15.9refractivity59.8polarizability18.14rotatable_bond_count1acceptor_count1donor_count0physiological_charge1formal_charge1Specdb::CMs11421Specdb::CMs133647Specdb::CMs141381Specdb::MsMs108342Specdb::MsMs108343Specdb::MsMs108344Specdb::MsMs175539Specdb::MsMs175540Specdb::MsMs175541Specdb::MsMs2983040Specdb::MsMs2983041Specdb::MsMs2983042Specdb::NmrOneD146030Specdb::NmrOneD146031Specdb::NmrOneD146032Specdb::NmrOneD146033Specdb::NmrOneD146034Specdb::NmrOneD146035Specdb::NmrOneD146036Specdb::NmrOneD146037Specdb::NmrOneD146038Specdb::NmrOneD146039Specdb::NmrOneD146040Specdb::NmrOneD146041Specdb::NmrOneD146042Specdb::NmrOneD146043Specdb::NmrOneD146044Specdb::NmrOneD146045Specdb::NmrOneD146046Specdb::NmrOneD146047Specdb::NmrOneD146048Specdb::NmrOneD146049HMDB01010AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823