1.0 2011-09-21 00:28:32 UTC 2015-07-21 06:57:39 UTC FDB023352 7-Hydroxy-6-methyl-8-ribityl lumazine 7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine. [HMDB] 1-Deoxy-1-(3,4-dihydro-7-hydroxy-6-methyl-2,4-dioxo-8(2H)-pteridinyl)-D-ribitol 7-Hydroxy-6-methyl-8-D-ribityllumazine CRM Masuda's compound V RL-6-me-7-OH C12H16N4O7 328.278 328.101898886 7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione 7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-pteridine-2,4-dione 2184-54-5 CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1 COXMGTTXHPRZBO-BBVRLYRLSA-N belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Pteridines and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Pyrazines Pyrimidones Secondary alcohols Vinylogous amides Alcohol Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Pteridine Pyrazine Pyrimidine Pyrimidone Secondary alcohol Vinylogous amide pteridines Solid logp -2.12 ALOGPS logs -2.25 ALOGPS solubility 1.85e+00 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 6.97 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione ChemAxon average_mass 328.278 ChemAxon mono_mass 328.101898886 ChemAxon smiles CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 ChemAxon formula C12H16N4O7 ChemAxon inchi InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1 ChemAxon inchikey COXMGTTXHPRZBO-BBVRLYRLSA-N ChemAxon polar_surface_area 175.28 ChemAxon refractivity 84.46 ChemAxon polarizability 30.11 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Riboflavin Metabolism SMP00070 map00740 Specdb::CMs 9586 Specdb::CMs 38746 Specdb::CMs 136485 Specdb::CMs 144219 Specdb::CMs 147641 Specdb::CMs 147643 Specdb::CMs 147645 Specdb::CMs 147647 Specdb::CMs 279627 Specdb::NmrOneD 48022 Specdb::NmrOneD 48023 Specdb::NmrOneD 48024 Specdb::NmrOneD 48025 Specdb::NmrOneD 48026 Specdb::NmrOneD 48027 Specdb::NmrOneD 48028 Specdb::NmrOneD 48029 Specdb::NmrOneD 48030 Specdb::NmrOneD 48031 Specdb::NmrOneD 48032 Specdb::NmrOneD 48033 Specdb::NmrOneD 48034 Specdb::NmrOneD 48035 Specdb::NmrOneD 48036 Specdb::NmrOneD 48037 Specdb::NmrOneD 48038 Specdb::NmrOneD 48039 Specdb::NmrOneD 48040 Specdb::NmrOneD 48041 Specdb::MsMs 287149 Specdb::MsMs 287150 Specdb::MsMs 287151 Specdb::MsMs 325915 Specdb::MsMs 325916 Specdb::MsMs 325917 Specdb::MsMs 2845307 Specdb::MsMs 2845308 Specdb::MsMs 2845309 Specdb::MsMs 2861089 Specdb::MsMs 2861090 Specdb::MsMs 2861091 HMDB04256 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