1.0 2011-09-21 00:11:07 UTC 2015-07-21 06:57:06 UTC FDB022262 Pseudouroporphyrin Porphyrins excreted in various types of porphyria (PubMed ID 5917679 ). Intermediate of haem biosynthesis (PubMed ID 1216185) [HMDB] 21H,23H-Porphine-2,3,7,8,12,13,17-heptacarboxylate 21H,23H-Porphine-2,3,7,8,12,13,17-heptacarboxylic acid 3,8,13-tris(carboxymethyl)-17-methyl-2,7,12,18-Porphinetetrapropionate 3,8,13-tris(carboxymethyl)-17-methyl-2,7,12,18-Porphinetetrapropionic acid Heptacarboxylic porphyrin: 3,8,13-tris(carboxymethyl)-17-methyl-21H,23H-Porphine-2,7,12,18-tetrapropanoate Heptacarboxylic porphyrin: 3,8,13-tris(carboxymethyl)-17-methyl-21H,23H-Porphine-2,7,12,18-tetrapropanoic acid Phyriaporphyrin C39H38N4O14 786.7374 786.238451944 3-[9,15,19-tris(2-carboxyethyl)-5,10,20-tris(carboxymethyl)-14-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid 3-[9,15,19-tris(2-carboxyethyl)-5,10,20-tris(carboxymethyl)-14-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid 25744-38-1 CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,40,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15- QNZLBNVYKHQNCQ-PKXAPQLQSA-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 1.13 ALOGPS logs -4.38 ALOGPS solubility 3.30e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_acidic 3.2 ChemAxon pka_strongest_basic 5.13 ChemAxon iupac 3-[9,15,19-tris(2-carboxyethyl)-5,10,20-tris(carboxymethyl)-14-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid ChemAxon average_mass 786.7374 ChemAxon mono_mass 786.238451944 ChemAxon smiles CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O ChemAxon formula C39H38N4O14 ChemAxon inchi InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,40,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15- ChemAxon inchikey QNZLBNVYKHQNCQ-PKXAPQLQSA-N ChemAxon polar_surface_area 318.46 ChemAxon refractivity 195.06 ChemAxon polarizability 82.6 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -7 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 297322 Specdb::MsMs 297323 Specdb::MsMs 297324 Specdb::MsMs 338812 Specdb::MsMs 338813 Specdb::MsMs 338814 Specdb::MsMs 2791238 Specdb::MsMs 2791239 Specdb::MsMs 2791240 Specdb::MsMs 2914793 Specdb::MsMs 2914794 Specdb::MsMs 2914795 Specdb::CMs 786355 Specdb::CMs 786356 Specdb::CMs 786357 Specdb::CMs 786358 Specdb::CMs 786359 Specdb::CMs 786360 Specdb::CMs 786361 Specdb::CMs 786362 Specdb::CMs 786363 HMDB00815 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