1.0 2010-04-08 22:06:44 UTC 2025-11-18 22:59:28 UTC FDB005557 Coproporphyrin III Excreted in small amounts in urine and faeces, found in blood, yeast, microorganisms etc. By-product of Haem formation in vivo, due to oxidation of the porphyrinogen (CCD) 3,8,13,17-Tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid Zinc coproporphyrin III Zincphyrin C36H38N4O8 654.7089 654.268964212 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid 14643-66-4 CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- JWFCYWSMNRLXLX-UJJXFSCMSA-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. Porphyrins Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins solid logp 2.53 ALOGPS logs -4.33 ALOGPS solubility 3.07e-02 g/l ALOGPS logp 4.95 ChemAxon pka_strongest_acidic 3.52 ChemAxon pka_strongest_basic 5.16 ChemAxon iupac 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid ChemAxon average_mass 654.7089 ChemAxon mono_mass 654.268964212 ChemAxon smiles CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C ChemAxon formula C36H38N4O8 ChemAxon inchi InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ChemAxon inchikey JWFCYWSMNRLXLX-UJJXFSCMSA-N ChemAxon polar_surface_area 206.56 ChemAxon refractivity 176.26 ChemAxon polarizability 73.93 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24746 Specdb::CMs 651024 Specdb::CMs 651025 Specdb::CMs 651026 Specdb::CMs 651027 Specdb::CMs 651028 Specdb::CMs 651029 Specdb::CMs 651030 Specdb::CMs 651031 Specdb::CMs 651032 Specdb::CMs 651033 Specdb::CMs 651034 Specdb::CMs 651035 Specdb::CMs 651036 Specdb::CMs 651037 Specdb::CMs 651038 Specdb::CMs 651039 Specdb::CMs 651040 Specdb::CMs 651041 Specdb::CMs 651042 Specdb::CMs 651043 Specdb::CMs 651044 Specdb::CMs 651045 Specdb::CMs 651046 Specdb::CMs 651047 Specdb::NmrOneD 334078 Specdb::NmrOneD 334079 Specdb::NmrOneD 334080 Specdb::NmrOneD 334081 Specdb::NmrOneD 334082 Specdb::NmrOneD 334083 Specdb::NmrOneD 334084 Specdb::NmrOneD 334085 Specdb::NmrOneD 334086 Specdb::NmrOneD 334087 Specdb::NmrOneD 334088 Specdb::NmrOneD 334089 Specdb::NmrOneD 334090 Specdb::NmrOneD 334091 Specdb::NmrOneD 334092 Specdb::NmrOneD 334093 Specdb::NmrOneD 334094 Specdb::NmrOneD 334095 Specdb::NmrOneD 334096 Specdb::NmrOneD 334097 Specdb::MsMs 6962 Specdb::MsMs 6963 Specdb::MsMs 6964 Specdb::MsMs 13634 Specdb::MsMs 13635 Specdb::MsMs 13636 Specdb::MsMs 2771579 Specdb::MsMs 2771580 Specdb::MsMs 2771581 Specdb::MsMs 2909972 Specdb::MsMs 2909973 Specdb::MsMs 2909974 HMDB00570 27609 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 Soy bean Type 1 specific Glycine max 3847 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