1.0 2011-09-21 00:12:15 UTC 2015-07-21 06:57:09 UTC FDB022330 Tetrahydroneopterin Tetrahydroneopterin is a reduced form of neopterin. [HMDB] 1-(2-amino-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)-1,2,3-Propanetriol 5,6,7,8-Tetrahydroneopterin C9H15N5O4 257.2465 257.112403993 2-amino-6-(1,2,3-trihydroxypropyl)-1,4,5,6,7,8-hexahydropteridin-4-one 2-amino-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydro-1H-pteridin-4-one 25976-00-5 NC1=NC(=O)C2=C(NCC(N2)C(O)C(O)CO)N1 InChI=1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18) XHIXPVCTDRNTTC-UHFFFAOYSA-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 1,2-aminoalcohols 1,3-aminoalcohols Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Polyols Primary alcohols Primary amines Pyrimidones Secondary alcohols Secondary alkylarylamines Vinylogous amides 1,2-aminoalcohol 1,3-aminoalcohol Alcohol Amine Aminopyrimidine 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 Pyrimidine Pyrimidone Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide a small molecule Solid logp -2.19 ALOGPS logs -1.74 ALOGPS solubility 4.68e+00 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 10.01 ChemAxon pka_strongest_basic 3.58 ChemAxon iupac 2-amino-6-(1,2,3-trihydroxypropyl)-1,4,5,6,7,8-hexahydropteridin-4-one ChemAxon average_mass 257.2465 ChemAxon mono_mass 257.112403993 ChemAxon smiles NC1=NC(=O)C2=C(NCC(N2)C(O)C(O)CO)N1 ChemAxon formula C9H15N5O4 ChemAxon inchi InChI=1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18) ChemAxon inchikey XHIXPVCTDRNTTC-UHFFFAOYSA-N ChemAxon polar_surface_area 152.23 ChemAxon refractivity 69.98 ChemAxon polarizability 24.37 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 321763 Specdb::MsMs 321764 Specdb::MsMs 321765 Specdb::MsMs 369478 Specdb::MsMs 369479 Specdb::MsMs 369480 Specdb::MsMs 2810912 Specdb::MsMs 2810913 Specdb::MsMs 2810914 Specdb::MsMs 2895511 Specdb::MsMs 2895512 Specdb::MsMs 2895513 Specdb::CMs 25152 Specdb::CMs 37854 Specdb::CMs 132066 Specdb::CMs 139800 Specdb::CMs 1082050 Specdb::CMs 1082051 Specdb::CMs 1082053 Specdb::CMs 1082055 Specdb::CMs 1082057 Specdb::CMs 1082059 Specdb::CMs 1082061 Specdb::CMs 1082063 Specdb::CMs 1082065 Specdb::CMs 1082067 Specdb::CMs 1082069 Specdb::CMs 1082071 Specdb::CMs 1082073 Specdb::CMs 1082075 Specdb::CMs 1082076 Specdb::CMs 1082078 Specdb::CMs 1082080 Specdb::CMs 1082082 Specdb::CMs 1082084 Specdb::CMs 1082086 Specdb::CMs 1082088 Specdb::NmrOneD 145870 Specdb::NmrOneD 145871 Specdb::NmrOneD 145872 Specdb::NmrOneD 145873 Specdb::NmrOneD 145874 Specdb::NmrOneD 145875 Specdb::NmrOneD 145876 Specdb::NmrOneD 145877 Specdb::NmrOneD 145878 Specdb::NmrOneD 145879 Specdb::NmrOneD 145880 Specdb::NmrOneD 145881 Specdb::NmrOneD 145882 Specdb::NmrOneD 145883 Specdb::NmrOneD 145884 Specdb::NmrOneD 145885 Specdb::NmrOneD 145886 Specdb::NmrOneD 145887 Specdb::NmrOneD 145888 Specdb::NmrOneD 145889 HMDB00942 #<Reference:0x000055ce325755c0> #<Reference:0x000055ce325753e0> #<Reference:0x000055ce325751b0> #<Reference:0x000055ce32574ff8> #<Reference:0x000055ce32574e18> 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