1.0 2011-09-21 00:16:58 UTC 2015-07-21 06:57:17 UTC FDB022619 Diadenosine heptaphosphate Diadenosine heptaphosphate (AP7A) have been isolated in human platelets and have been postulated to play an important role in the control of vascular tone and hemostasis since it inhibits ADP-induced platelet aggregation. AP7A is a potent vasoconstrictors present in human placenta. Diadenosine polyphosphates (APnAs, n = 3-6) are a family of endogenous vasoactive purine dinucleotides which have been isolated from thrombocytes. APnAs have been demonstrated to be involved in the control of vascular tone as well as the growth of vascular smooth muscle cells and hence, possibly, in atherogenesis. APnAs isolated substances are Ap3A, Ap4A, Ap5A, and Ap6A. APnAs are naturally occurring substances that facilitate tear secretion; they are released from the corneal epithelium, they stimulate tear production and therefore they may be considered as physiological modulators of tear secretion. The APnAs were discovered in the mid-sixties in the course of studies on aminoacyl-tRNA synthetases (aaRS). APnAs have emerged as intracellular and extracellular signalling molecules implicated in the maintenance and regulation of vital cellular functions and become considered as second messengers. Great variety of physiological and pathological effects in mammalian cells was found to be associated with alterations of APnAs. APnAs are polyphosphated nucleotidic substances which are found in the CNS and are known to be released in a calcium-dependent manner from storage vesicles in brain synaptosomes. (PMID: 11212966, 12738682, 11810214, 9607303, 8922753, 11327631, 10446159) [HMDB] Adenosine 5'-(octahydrogen heptaate) Adenosine 5'-(octahydrogen heptaphosphate) Ap7A C20H31N10O28P7 1076.3267 1075.947256042 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid Ap7A 106597-55-1 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O InChI=1S/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 IBORMIZOWBHWTG-XPWFQUROSA-N belongs to the class of organic compounds known as carbonyl compounds. These are organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group. Carbonyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Hydrocarbon derivative Organic oxide aldehyde an <i>n</i>-alkanal one-carbon compound Solid logp 0.71 ALOGPS logs -2.13 ALOGPS solubility 7.98e+00 g/l ALOGPS logp -8.2 ChemAxon pka_strongest_acidic 0.18 ChemAxon pka_strongest_basic 5 ChemAxon iupac {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid ChemAxon average_mass 1076.3267 ChemAxon mono_mass 1075.947256042 ChemAxon smiles NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O ChemAxon formula C20H31N10O28P7 ChemAxon inchi InChI=1S/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 ChemAxon inchikey IBORMIZOWBHWTG-XPWFQUROSA-N ChemAxon polar_surface_area 573.56 ChemAxon refractivity 198.72 ChemAxon polarizability 80.03 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 28 ChemAxon donor_count 13 ChemAxon physiological_charge -7 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 9342 Specdb::NmrOneD 9343 Specdb::NmrOneD 9344 Specdb::NmrOneD 9345 Specdb::NmrOneD 9346 Specdb::NmrOneD 9347 Specdb::NmrOneD 9348 Specdb::NmrOneD 9349 Specdb::NmrOneD 9350 Specdb::NmrOneD 9351 Specdb::NmrOneD 9352 Specdb::NmrOneD 9353 Specdb::NmrOneD 9354 Specdb::NmrOneD 9355 Specdb::NmrOneD 9356 Specdb::NmrOneD 9357 Specdb::NmrOneD 9358 Specdb::NmrOneD 9359 Specdb::NmrOneD 9360 Specdb::NmrOneD 9361 Specdb::MsMs 298831 Specdb::MsMs 298832 Specdb::MsMs 298833 Specdb::MsMs 340708 Specdb::MsMs 340709 Specdb::MsMs 340710 Specdb::MsMs 2300601 Specdb::MsMs 2300602 Specdb::MsMs 2300603 Specdb::MsMs 3064424 Specdb::MsMs 3064425 Specdb::MsMs 3064426 HMDB01433 #<Reference:0x000055ce31a13268> #<Reference:0x000055ce31a130b0> #<Reference:0x000055ce31a12ef8> #<Reference:0x000055ce31a12d40> #<Reference:0x000055ce31a12b88> #<Reference:0x000055ce31a129d0> #<Reference:0x000055ce31a12818> 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