1.0 2011-09-21 01:39:31 UTC 2015-07-21 06:59:25 UTC FDB028420 Ciliatine Ciliatine is an organophosphorus compound isolated from human and animal tissues. [HMDB] (2-Aminoethane)onate (2-Aminoethane)onic acid (2-Aminoethane)phosphonic acid (2-Aminoethyl)onate (2-Aminoethyl)onic acid (2-aminoethyl)phosphonate (2-Aminoethyl)phosphonic acid 2-Aminoethylonate 2-Aminoethylonic acid 2-Aminoethylphosphonate Aminoethylonate Aminoethylonic acid Aminoethylphosphonic acid b-Aminoethylonate b-Aminoethylonic acid beta-Aminoethylonate beta-Aminoethylonic acid beta-Aminoethylphosphonic acid Ciliatine Onoethylamine Phosphonoethylamine β-aminoethylonate β-aminoethylonic acid C2H8NO3P 125.0636 125.024179639 (2-aminoethyl)phosphonic acid ciliatine 2041-14-7 NCCP(O)(O)=O InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. Organic phosphonic acids Organic compounds Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids Aliphatic acyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organophosphorus compounds Organopnictogen compounds Aliphatic acyclic compound Amine Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organophosphonic acid Organophosphorus compound Organopnictogen compound Primary aliphatic amine Primary amine phosphonic acids primary amino compound Solid logp -1.55 ALOGPS logs -0.55 ALOGPS solubility 3.53e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.53 ChemAxon pka_strongest_basic 10.43 ChemAxon iupac (2-aminoethyl)phosphonic acid ChemAxon average_mass 125.0636 ChemAxon mono_mass 125.024179639 ChemAxon smiles NCCP(O)(O)=O ChemAxon formula C2H8NO3P ChemAxon inchi InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) ChemAxon inchikey QQVDJLLNRSOCEL-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 25.25 ChemAxon polarizability 10.24 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2601 Specdb::MsIr 2602 Specdb::MsIr 2603 Specdb::CMs 17561 Specdb::CMs 30165 Specdb::CMs 30252 Specdb::CMs 30497 Specdb::CMs 30842 Specdb::CMs 32167 Specdb::CMs 99989 Specdb::CMs 99990 Specdb::CMs 99991 Specdb::CMs 99992 Specdb::CMs 99993 Specdb::CMs 133808 Specdb::CMs 141542 Specdb::NmrOneD 94472 Specdb::NmrOneD 94473 Specdb::NmrOneD 94474 Specdb::NmrOneD 94475 Specdb::NmrOneD 94476 Specdb::NmrOneD 94477 Specdb::NmrOneD 94478 Specdb::NmrOneD 94479 Specdb::NmrOneD 94480 Specdb::NmrOneD 94481 Specdb::NmrOneD 94482 Specdb::NmrOneD 94483 Specdb::NmrOneD 94484 Specdb::NmrOneD 94485 Specdb::NmrOneD 94486 Specdb::NmrOneD 94487 Specdb::NmrOneD 94488 Specdb::NmrOneD 94489 Specdb::NmrOneD 94490 Specdb::NmrOneD 94491 Specdb::MsMs 304861 Specdb::MsMs 304862 Specdb::MsMs 304863 Specdb::MsMs 348181 Specdb::MsMs 348182 Specdb::MsMs 348183 Specdb::MsMs 437168 Specdb::MsMs 437169 Specdb::MsMs 437170 Specdb::MsMs 437171 Specdb::MsMs 437172 Specdb::MsMs 439041 Specdb::MsMs 440064 Specdb::MsMs 445611 Specdb::MsMs 445612 Specdb::MsMs 445613 Specdb::MsMs 445614 Specdb::MsMs 445615 Specdb::MsMs 447967 Specdb::MsMs 451894 Specdb::MsMs 2234065 Specdb::MsMs 2234860 Specdb::MsMs 2252883 Specdb::MsMs 2253574 Specdb::MsMs 2254925 HMDB11747 15573 P7I Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Ethanolamine-phosphate cytidylyltransferase Q99447 PCYT2