1.0 2011-09-21 00:17:47 UTC 2015-07-21 06:57:19 UTC FDB022676 5-Formiminotetrahydrofolic acid 5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase. [HMDB] 5-Formimidoyltetrahydrofolate 5-Formimidoyltetrahydrofolic acid 5-Formimino-THF 5-Formiminotetrahydrofolate C20H24N8O6 472.4546 472.18188054 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid 2311-81-1 NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1 InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32) YCWUVLPMLLBDCU-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. Tetrahydrofolic acids Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Aromatic heteropolycyclic compounds Amino acids Aminobenzamides Aminopyrimidines and derivatives Aniline and substituted anilines Azacyclic compounds Benzoyl derivatives Carbonyl compounds Carboxamidines Carboxylic acids Dicarboxylic acids and derivatives Formamidines Glutamic acid and derivatives Heteroaromatic compounds Hippuric acids Hydrocarbon derivatives Imines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalkylamines Primary amines Pyrimidones Secondary alkylarylamines Secondary carboxylic acid amides Vinylogous amides Alpha-amino acid or derivatives Amidine Amine Amino acid Amino acid or derivatives Aminobenzamide Aminobenzoic acid or derivatives Aminopyrimidine Aniline or substituted anilines Aromatic heteropolycyclic compound Azacycle Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid amidine Carboxylic acid derivative Dicarboxylic acid or derivatives Formamidine Glutamic acid or derivatives Heteroaromatic compound Hippuric acid Hippuric acid or derivatives Hydrocarbon derivative Imine Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Primary amine Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Secondary carboxylic acid amide Tetrahydrofolic acid Vinylogous amide Solid logp -1.83 ALOGPS logs -3.46 ALOGPS solubility 1.63e-01 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 2.86 ChemAxon pka_strongest_basic 6.04 ChemAxon iupac 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid ChemAxon average_mass 472.4546 ChemAxon mono_mass 472.18188054 ChemAxon smiles NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1 ChemAxon formula C20H24N8O6 ChemAxon inchi InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32) ChemAxon inchikey YCWUVLPMLLBDCU-UHFFFAOYSA-N ChemAxon polar_surface_area 222.33 ChemAxon refractivity 139.53 ChemAxon polarizability 47.06 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Folate Metabolism SMP00053 map00670 Histidine Metabolism SMP00044 map00340 Specdb::CMs 20821 Specdb::CMs 38111 Specdb::CMs 133122 Specdb::CMs 140856 Specdb::MsMs 312385 Specdb::MsMs 312386 Specdb::MsMs 312387 Specdb::MsMs 357628 Specdb::MsMs 357629 Specdb::MsMs 357630 Specdb::MsMs 2372610 Specdb::MsMs 2372611 Specdb::MsMs 2372612 Specdb::MsMs 2563683 Specdb::MsMs 2563684 Specdb::MsMs 2563685 Specdb::NmrOneD 148120 Specdb::NmrOneD 148121 Specdb::NmrOneD 148122 Specdb::NmrOneD 148123 Specdb::NmrOneD 148124 Specdb::NmrOneD 148125 Specdb::NmrOneD 148126 Specdb::NmrOneD 148127 Specdb::NmrOneD 148128 Specdb::NmrOneD 148129 Specdb::NmrOneD 148130 Specdb::NmrOneD 148131 Specdb::NmrOneD 148132 Specdb::NmrOneD 148133 Specdb::NmrOneD 148134 Specdb::NmrOneD 148135 Specdb::NmrOneD 148136 Specdb::NmrOneD 148137 Specdb::NmrOneD 148138 Specdb::NmrOneD 148139 HMDB01534 15639 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 Formimidoyltransferase-cyclodeaminase O95954 FTCD