1.0 2011-09-21 00:09:47 UTC 2025-11-19 02:41:04 UTC FDB022186 Isocoproporphyrin A porphyrin derivative found in the feces and in urine for patients suffering from PCT (porphyria cutanea tarda). PCT is probably the most common of the porphyrias. It manifests as vesicle formation in sun-exposed areas, particularly the dorsum of the hands, A finding that is virtually diagnostic of PCT is the presence of isocoproporphyrin in stool [HMDB] 3-(carboxymethyl)-12-ethyl-8,13,17-trimethyl- 21H,23H-porphine-2,7,18-tripropanoate 3-(carboxymethyl)-12-ethyl-8,13,17-trimethyl- 21H,23H-porphine-2,7,18-tripropanoic acid C36H38N4O8 654.7089 654.268964212 3-[15,19-bis(2-carboxyethyl)-20-(carboxymethyl)-9-ethyl-5,10,14-trimethyl-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-[15,19-bis(2-carboxyethyl)-20-(carboxymethyl)-9-ethyl-5,10,14-trimethyl-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 36548-09-1 CCC1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(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/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/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-,28-14-,29-15-,30-16-,31-15-,32-16- UHKZSWAPQUEURH-TXUIXYGZSA-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 2.62 ALOGPS logs -4.31 ALOGPS solubility 3.22e-02 g/l ALOGPS logp 4.85 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic 5.14 ChemAxon iupac 3-[15,19-bis(2-carboxyethyl)-20-(carboxymethyl)-9-ethyl-5,10,14-trimethyl-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 CCC1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(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/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/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-,28-14-,29-15-,30-16-,31-15-,32-16- ChemAxon inchikey UHKZSWAPQUEURH-TXUIXYGZSA-N ChemAxon polar_surface_area 206.56 ChemAxon refractivity 176.26 ChemAxon polarizability 73.19 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18002 Specdb::CMs 651216 Specdb::CMs 651217 Specdb::CMs 651218 Specdb::CMs 651219 Specdb::CMs 651220 Specdb::CMs 651221 Specdb::CMs 651222 Specdb::CMs 651223 Specdb::CMs 651224 Specdb::CMs 651225 Specdb::CMs 651226 Specdb::CMs 651227 Specdb::CMs 651228 Specdb::CMs 651229 Specdb::CMs 651230 Specdb::CMs 651231 Specdb::CMs 651232 Specdb::CMs 651233 Specdb::CMs 651234 Specdb::CMs 651235 Specdb::CMs 651236 Specdb::CMs 651237 Specdb::CMs 651238 Specdb::CMs 651239 Specdb::MsMs 305899 Specdb::MsMs 305900 Specdb::MsMs 305901 Specdb::MsMs 349402 Specdb::MsMs 349403 Specdb::MsMs 349404 Specdb::MsMs 3042106 Specdb::MsMs 3042107 Specdb::MsMs 3042108 Specdb::MsMs 3098506 Specdb::MsMs 3098507 Specdb::MsMs 3098508 HMDB00697 #<Reference:0x000055ce32174638> #<Reference:0x000055ce32174480> #<Reference:0x000055ce321742c8> #<Reference:0x000055ce32174110> 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