1.0 2016-09-30 22:40:55 UTC 2020-05-21 16:28:57 UTC BMDB0001086 BMDB01086 Uroporphyrinogen III Uroporphyrinogen III, also known as uroporphyrinogen III, belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Uroporphyrinogen III is possibly soluble (in water) and a weakly acidic compound (based on its pKa). Uroporphyrinogen III exists in all living species, ranging from bacteria to humans. In cattle, uroporphyrinogen iii is involved in the metabolic pathway called the porphyrin metabolism pathway. 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoic acid 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid Uro'gen III 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoate 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionate Uroporphyrinogens 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-2,7,12,18-porphinetetrapropionate 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-2,7,12,18-porphinetetrapropionic acid 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoate 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid Urogen III Uroporphyrinogen-III C40H44N4O16 836.7946 836.27523138 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid uroporphyrinogen-III 1976-85-8 OC(=O)CCC1=C2CC3=C(CCC(O)=O)C(CC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3 InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60) HUHWZXWWOFSFKF-UHFFFAOYSA-N belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins Porphyrins Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Porphyrin Pyrrole Substituted pyrrole Aromatic heteropolycyclic compounds uroporphyrinogen Solid logp 0.67 ALOGPS logs -4.28 ALOGPS logp 1.39 ChemAxon pka_strongest_acidic 3.21 ChemAxon iupac 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid ChemAxon average_mass 836.7946 ChemAxon mono_mass 836.27523138 ChemAxon smiles OC(=O)CCC1=C2CC3=C(CCC(O)=O)C(CC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3 ChemAxon formula C40H44N4O16 ChemAxon inchi InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60) ChemAxon inchikey HUHWZXWWOFSFKF-UHFFFAOYSA-N ChemAxon polar_surface_area 361.56 ChemAxon refractivity 206.93 ChemAxon polarizability 81.55 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 16 ChemAxon donor_count 12 ChemAxon physiological_charge -8 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Porphyrin Metabolism SMP0087243 Specdb::EiMs 5383 Specdb::MsMs 29585 Specdb::MsMs 29586 Specdb::MsMs 29587 Specdb::MsMs 36143 Specdb::MsMs 36144 Specdb::MsMs 36145 Specdb::MsMs 2375444 Specdb::MsMs 2375445 Specdb::MsMs 2375446 Specdb::MsMs 2559426 Specdb::MsMs 2559427 Specdb::MsMs 2559428 Specdb::NmrOneD 345048 Specdb::NmrOneD 345049 Specdb::NmrOneD 345050 Specdb::NmrOneD 345051 Specdb::NmrOneD 345052 Specdb::NmrOneD 345053 Specdb::NmrOneD 345054 Specdb::NmrOneD 345055 Specdb::NmrOneD 345056 Specdb::NmrOneD 345057 Specdb::NmrOneD 345058 Specdb::NmrOneD 345059 Specdb::NmrOneD 345060 Specdb::NmrOneD 345061 Specdb::NmrOneD 345062 Specdb::NmrOneD 345063 Specdb::NmrOneD 345064 Specdb::NmrOneD 345065 Specdb::NmrOneD 345066 Specdb::NmrOneD 345067 C01051 FDB022417 1146 C00007373 1179 15437 Uroporphyrinogen III 36704 79 UROPORPHYRINOGEN-III BMDBP02953 Uroporphyrinogen III synthase F6QDV4 UROS Enzyme BMDBP02954 Uroporphyrinogen decarboxylase E1BEX4 UROD Enzyme