1.0 2011-09-21 00:11:41 UTC 2015-07-21 06:57:07 UTC FDB022295 Umanopterin Umanopterin is a pteridine derivative. It is identified in body fluids. An elevated level of umanopterin is associated with immune system activation, malignant diseases, allograft rejection, and viral infections. (http://www.online-medical-dictionary.org/) [HMDB] 2-amino-6-(D-threo-trihydroxypropyl)-4(3H)-Pteridinone 6-D-threo-Monapterin D-(-)-Monapterin D-6-(threo-1',2',3'-Trihydroxypropyl)pterin D-Monapterin Umanopterin C9H11N5O4 253.2147 253.081103865 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-4,8-dihydropteridin-4-one 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-8H-pteridin-4-one 10162-32-0 NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1 BMQYVXCPAOLZOK-INEUFUBQSA-N belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. Biopterins and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Aromatic heteropolycyclic compounds Aminopyrimidines and derivatives Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Polyols Primary alcohols Primary amines Pyrazines Pyrimidones Secondary alcohols Vinylogous amides Alcohol Amine Aminopyrimidine Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Biopterin Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Primary amine Pyrazine Pyrimidine Pyrimidone Secondary alcohol Vinylogous amide neopterins Solid logp -1.90 ALOGPS logs -2.32 ALOGPS solubility 1.20e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 8.18 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-4,8-dihydropteridin-4-one ChemAxon average_mass 253.2147 ChemAxon mono_mass 253.081103865 ChemAxon smiles NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO ChemAxon formula C9H11N5O4 ChemAxon inchi InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1 ChemAxon inchikey BMQYVXCPAOLZOK-INEUFUBQSA-N ChemAxon polar_surface_area 152.89 ChemAxon refractivity 59.35 ChemAxon polarizability 23.37 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 7842 Specdb::NmrOneD 7843 Specdb::NmrOneD 7844 Specdb::NmrOneD 7845 Specdb::NmrOneD 7846 Specdb::NmrOneD 7847 Specdb::NmrOneD 7848 Specdb::NmrOneD 7849 Specdb::NmrOneD 7850 Specdb::NmrOneD 7851 Specdb::NmrOneD 7852 Specdb::NmrOneD 7853 Specdb::NmrOneD 7854 Specdb::NmrOneD 7855 Specdb::NmrOneD 7856 Specdb::NmrOneD 7857 Specdb::NmrOneD 7858 Specdb::NmrOneD 7859 Specdb::NmrOneD 7860 Specdb::NmrOneD 7861 Specdb::CMs 7279 Specdb::CMs 132777 Specdb::CMs 140511 Specdb::CMs 1080755 Specdb::CMs 1080757 Specdb::CMs 1080759 Specdb::CMs 1080761 Specdb::CMs 1080763 Specdb::CMs 1080765 Specdb::CMs 1080767 Specdb::CMs 1080768 Specdb::CMs 1080770 Specdb::CMs 1080772 Specdb::CMs 1080774 Specdb::CMs 1080776 Specdb::CMs 1080778 Specdb::CMs 1080779 Specdb::CMs 1080781 Specdb::CMs 1080783 Specdb::CMs 1080785 Specdb::CMs 1080787 Specdb::CMs 1080788 Specdb::CMs 1080790 Specdb::CMs 1080792 Specdb::CMs 1080794 Specdb::MsMs 252708 Specdb::MsMs 252709 Specdb::MsMs 252710 Specdb::MsMs 272649 Specdb::MsMs 272650 Specdb::MsMs 272651 Specdb::MsMs 2783284 Specdb::MsMs 2783285 Specdb::MsMs 2783286 Specdb::MsMs 2921692 Specdb::MsMs 2921693 Specdb::MsMs 2921694 HMDB00877 NEO #<Reference:0x000055ce32270050> #<Reference:0x000055ce3226fe48> 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