1.0 2011-09-21 00:13:39 UTC 2015-07-21 06:57:12 UTC FDB022414 Adenosyl cobyrinic acid a,c diamide Adenosyl cobyrinic acid a,c diamide is an intermediate in the metabolism of Porphyrin and chlorophyll. It is a substrate for Cob(I)yrinic acid a,c-diamide adenosyltransferase (mitochondrial). [HMDB] Adenosyl cobyrinate a,c diamide Adenosyl cobyrinate diamide Adenosyl cobyrinic acid diamide Adenosylcob(III)yrinate a,c-diamide Adenosylcob(III)yrinic acid a,c-diamide Adenosylcobyrinate a,c-diamide Adenosylcobyrinic acid a,c-diamide C55H73CoN11O15 1187.166 1186.461960915 [H][C@]1(C[Co+]234N5C6[C@]([H])(CC(O)=O)[C@@](C)(CCC(O)=O)C5=C(C)C5=[N]2C(=CC2=[N]3C(=C(C)C3=[N]4[C@]6(C)[C@@](C)(CC(N)=O)[C@]3([H])CCC(O)=O)[C@@](C)(CC(N)=O)[C@]2([H])CCC(O)=O)C(C)(C)[C@]5([H])CCC(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O InChI=1S/C45H61N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q-1;;+2/b38-21-;;/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1 WJNICOVSCOZTLV-OPIDPZFUSA-N belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom. Metallotetrapyrroles Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Metallotetrapyrroles Aromatic heteropolycyclic compounds 1,2-diols 5'-deoxyribonucleosides 6-aminopurines Amino acids Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Metalloheterocyclic compounds Monosaccharides N-substituted imidazoles Organic cations Organic cobalt salts Organic oxides Organopnictogen compounds Organotransition metal compounds Oxacyclic compounds Pentacarboxylic acids and derivatives Primary amines Primary carboxylic acid amides Pyrrolidines Pyrrolines Secondary alcohols Tetrahydrofurans Transition metal alkyls 1,2-diol 5'-deoxyribonucleoside 6-aminopurine Alcohol Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Metalloheterocycle Metallotetrapyrrole skeleton Monosaccharide N-substituted imidazole Organic cation Organic cobalt salt Organic metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic transition metal moeity Organic transition metal salt Organometallic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentacarboxylic acid or derivatives Primary amine Primary carboxylic acid amide Purine Pyrimidine Pyrrolidine Pyrroline Secondary alcohol Tetrahydrofuran Transition metal alkyl Solid logp 0.94 ALOGPS logs -4.88 ALOGPS solubility 1.63e-02 g/l ALOGPS average_mass 1187.166 ChemAxon mono_mass 1186.461960915 ChemAxon smiles [H][C@]1(C[Co+]234N5C6[C@]([H])(CC(O)=O)[C@@](C)(CCC(O)=O)C5=C(C)C5=[N]2C(=CC2=[N]3C(=C(C)C3=[N]4[C@]6(C)[C@@](C)(CC(N)=O)[C@]3([H])CCC(O)=O)[C@@](C)(CC(N)=O)[C@]2([H])CCC(O)=O)C(C)(C)[C@]5([H])CCC(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O ChemAxon formula C55H73CoN11O15 ChemAxon inchi InChI=1S/C45H61N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q-1;;+2/b38-21-;;/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1 ChemAxon inchikey WJNICOVSCOZTLV-OPIDPZFUSA-N ChemAxon polar_surface_area 452.86 ChemAxon refractivity 294.61 ChemAxon polarizability 120.09 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon HMDB01083 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 Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial Q96EY8 MMAB