1.0 2016-09-30 22:51:52 UTC 2020-05-21 16:28:57 UTC BMDB0002158 BMDB02158 Coproporphyrinogen I Coproporphyrinogen I 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. Coproporphyrinogen I exists as a solid, possibly soluble (in water), and a weakly acidic compound (based on its pKa) molecule. Coproporphyrinogen I exists in all living species, ranging from bacteria to humans. In cattle, coproporphyrinogen i is involved in the metabolic pathway called the porphyrin metabolism pathway. 3,8,13,18-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropionic acid COPROPORPHYRIN I 3,8,13,18-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropionate 3,8,13,18-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropanoate 3,8,13,18-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropanoic acid C36H44N4O8 660.7566 660.315914404 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-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 coproporphyrinogen I 31110-56-2 CC1=C2CC3=C(CCC(O)=O)C(C)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3 InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) WIUGGJKHYQIGNH-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 Tetracarboxylic acids and derivatives 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 Tetracarboxylic acid or derivatives Aromatic heteropolycyclic compounds coproporphyrinogen Solid melting_point 171 - 174 °C logp 1.97 ALOGPS logs -4.77 ALOGPS logp 4.89 ChemAxon pka_strongest_acidic 3.85 ChemAxon iupac 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-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 660.7566 ChemAxon mono_mass 660.315914404 ChemAxon smiles CC1=C2CC3=C(CCC(O)=O)C(C)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3 ChemAxon formula C36H44N4O8 ChemAxon inchi InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) ChemAxon inchikey WIUGGJKHYQIGNH-UHFFFAOYSA-N ChemAxon polar_surface_area 212.36 ChemAxon refractivity 181.86 ChemAxon polarizability 71.34 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 8 ChemAxon donor_count 8 ChemAxon physiological_charge -4 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::CMs 23767 Specdb::CMs 674449 Specdb::CMs 674450 Specdb::CMs 674451 Specdb::CMs 674452 Specdb::CMs 674453 Specdb::CMs 674454 Specdb::CMs 674455 Specdb::CMs 674456 Specdb::CMs 674457 Specdb::CMs 674458 Specdb::CMs 674459 Specdb::CMs 674460 Specdb::CMs 674461 Specdb::CMs 674462 Specdb::CMs 674463 Specdb::CMs 674464 Specdb::CMs 674465 Specdb::CMs 674466 Specdb::CMs 674467 Specdb::CMs 674468 Specdb::CMs 674469 Specdb::CMs 674470 Specdb::CMs 674471 Specdb::CMs 674472 Specdb::MsMs 28370 Specdb::MsMs 28371 Specdb::MsMs 28372 Specdb::MsMs 34928 Specdb::MsMs 34929 Specdb::MsMs 34930 Specdb::MsMs 2382347 Specdb::MsMs 2382348 Specdb::MsMs 2382349 Specdb::MsMs 2580024 Specdb::MsMs 2580025 Specdb::MsMs 2580026 Specdb::NmrOneD 311771 Specdb::NmrOneD 311772 Specdb::NmrOneD 311773 Specdb::NmrOneD 311774 Specdb::NmrOneD 311775 Specdb::NmrOneD 311776 Specdb::NmrOneD 311777 Specdb::NmrOneD 311778 Specdb::NmrOneD 311779 Specdb::NmrOneD 311780 Specdb::NmrOneD 311781 Specdb::NmrOneD 311782 Specdb::NmrOneD 311783 Specdb::NmrOneD 311784 Specdb::NmrOneD 311785 Specdb::NmrOneD 311786 Specdb::NmrOneD 311787 Specdb::NmrOneD 311788 Specdb::NmrOneD 311789 Specdb::NmrOneD 311790 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 389645 C05768 FDB022874 440776 28607 C00007284 Coproporphyrinogen I 6516 BMDBP02954 Uroporphyrinogen decarboxylase E1BEX4 UROD Enzyme