1.0 2010-04-08 22:06:47 UTC 2025-11-18 22:59:44 UTC FDB005664 Uroporphyrin III Occurs in urine in small amounts as by-product of haem biosynthesis, also in Rhodopseudomonas spheroides (CCD). Uroporphyrin III is found in soy bean. Porphyrin-1,3,6,7-tetraacetic acid-2,4,5,8-tetrapropanoic acid (obsol.) Porphyrin-2,7,12,18-tetraacetic acid-3,8,13,17-tetrapropanoic acid C40H38N4O16 830.7469 830.228281188 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid 18273-06-8 OC(=O)CCC1=C(CC(O)=O)/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(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O InChI=1S/C40H38N4O16/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/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- VZVFNUAIRVUCEW-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 0.79 ALOGPS logs -4.35 ALOGPS solubility 3.75e-02 g/l ALOGPS logp 3.51 ChemAxon pka_strongest_acidic 3.11 ChemAxon iupac 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid ChemAxon average_mass 830.7469 ChemAxon mono_mass 830.228281188 ChemAxon smiles OC(=O)CCC1=C(CC(O)=O)/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(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O ChemAxon formula C40H38N4O16 ChemAxon inchi InChI=1S/C40H38N4O16/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/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ChemAxon inchikey VZVFNUAIRVUCEW-UJJXFSCMSA-N ChemAxon polar_surface_area 355.76 ChemAxon refractivity 201.32 ChemAxon polarizability 85.12 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge -8 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 3118 Specdb::MsMs 320530 Specdb::MsMs 320531 Specdb::MsMs 320532 Specdb::MsMs 367912 Specdb::MsMs 367913 Specdb::MsMs 367914 Specdb::MsMs 2326587 Specdb::MsMs 2326588 Specdb::MsMs 2326589 Specdb::MsMs 2611600 Specdb::MsMs 2611601 Specdb::MsMs 2611602 Specdb::NmrOneD 330442 Specdb::NmrOneD 330443 Specdb::NmrOneD 330444 Specdb::NmrOneD 330445 Specdb::NmrOneD 330446 Specdb::NmrOneD 330447 Specdb::NmrOneD 330448 Specdb::NmrOneD 330449 Specdb::NmrOneD 330450 Specdb::NmrOneD 330451 Specdb::NmrOneD 330452 Specdb::NmrOneD 330453 Specdb::NmrOneD 330454 Specdb::NmrOneD 330455 Specdb::NmrOneD 330456 Specdb::NmrOneD 330457 Specdb::NmrOneD 330458 Specdb::NmrOneD 330459 Specdb::NmrOneD 330460 Specdb::NmrOneD 330461 HMDB00916 15436 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