1.0 2016-09-30 22:47:19 UTC 2020-05-21 16:28:32 UTC BMDB0001534 BMDB01534 5-Formiminotetrahydrofolic acid 5-Formiminotetrahydrofolic acid 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. 5-Formiminotetrahydrofolic acid is possibly soluble (in water) and a very strong basic compound (based on its pKa). 5-Formiminotetrahydrofolic acid can be converted into 5,10-methenyltetrahydrofolic acid through its interaction with the enzyme formimidoyltransferase-cyclodeaminase. In cattle, 5-formiminotetrahydrofolic acid is involved in the metabolic pathway called the folate metabolism pathway. 5-Formimidoyltetrahydrofolate 5-Formimidoyltetrahydrofolic acid 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. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Tetrahydrofolic acids 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 Aromatic heteropolycyclic compounds Solid logp -1.83 ALOGPS logs -3.46 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 number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Folate Metabolism SMP0087196 Histidine Metabolism SMP0087219 Specdb::CMs 20821 Specdb::CMs 38111 Specdb::CMs 133122 Specdb::CMs 140856 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 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 C00664 FDB022676 11267158 530 15639 35643 5-Formiminotetrahydrofolate 6305 BMDBP02882 Formimidoyltransferase cyclodeaminase F1MNA6 FTCD Enzyme