1.0 2011-09-21 00:09:42 UTC 2015-07-21 06:57:02 UTC FDB022180 Harderoporphyrin Harderoporphyrin is an intermediate in heme biosynthesis. It is formed in the conversion of coproporphyrinogen to protoporphyrinogen and excreted excessively in the feces in harderoporphyria. [HMDB] 3,8,13,17-tetramethyl-12-vinyl-2,7,18-Porphinetripropionate 3,8,13,17-tetramethyl-12-vinyl-2,7,18-Porphinetripropionic acid 4,6,7-Tris(2-carboxyethyl)-1,3,5,8-tetramethyl-2-vinylporphyrin C35H36N4O6 608.6835 608.263484904 3-[15,19-bis(2-carboxyethyl)-9-ethenyl-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-[15,19-bis(2-carboxyethyl)-9-ethenyl-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 30783-27-8 CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O InChI=1S/C35H36N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,13-16,36,39H,1,7-12H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- KECOXFKVIHSIBO-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 3.56 ALOGPS logs -4.37 ALOGPS solubility 2.59e-02 g/l ALOGPS logp 5.8 ChemAxon pka_strongest_acidic 3.62 ChemAxon pka_strongest_basic 5.11 ChemAxon iupac 3-[15,19-bis(2-carboxyethyl)-9-ethenyl-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 608.6835 ChemAxon mono_mass 608.263484904 ChemAxon smiles CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O ChemAxon formula C35H36N4O6 ChemAxon inchi InChI=1S/C35H36N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,13-16,36,39H,1,7-12H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ChemAxon inchikey KECOXFKVIHSIBO-UJJXFSCMSA-N ChemAxon polar_surface_area 169.26 ChemAxon refractivity 170.03 ChemAxon polarizability 69.91 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25546 Specdb::CMs 37694 Specdb::CMs 495238 Specdb::CMs 495239 Specdb::CMs 495240 Specdb::CMs 495241 Specdb::CMs 495242 Specdb::CMs 495243 Specdb::CMs 495244 Specdb::CMs 495245 Specdb::CMs 495246 Specdb::CMs 495247 Specdb::CMs 495248 Specdb::CMs 495249 Specdb::CMs 495250 Specdb::CMs 495251 Specdb::CMs 495252 Specdb::CMs 495253 Specdb::CMs 495254 Specdb::CMs 495255 Specdb::CMs 495256 Specdb::CMs 495257 Specdb::CMs 495258 Specdb::CMs 495259 Specdb::CMs 495260 Specdb::MsMs 322612 Specdb::MsMs 322613 Specdb::MsMs 322614 Specdb::MsMs 370558 Specdb::MsMs 370559 Specdb::MsMs 370560 Specdb::MsMs 2777759 Specdb::MsMs 2777760 Specdb::MsMs 2777761 Specdb::MsMs 2901090 Specdb::MsMs 2901091 Specdb::MsMs 2901092 HMDB00683 #<Reference:0x00007f093c032b30> #<Reference:0x00007f093c032978> 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