1.0 2011-09-21 00:40:43 UTC 2015-07-21 06:58:01 UTC FDB024157 L-2-Aminoadipate adenylate L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). [HMDB] 5-Adenylyl-2-aminoadipate alpha-Aminoadipoyl-C6-AMP C16H23N6O10P 490.3618 490.121327498 (2S)-2-amino-6-[({[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-6-oxohexanoic acid (2S)-2-amino-6-({[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-6-oxohexanoic acid N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1 POJWEBKSMOTPNS-ILUWSIKFSA-N belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated. 5'-acylphosphoadenosines Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Aromatic heteropolycyclic compounds 1,2-diols 6-aminopurines Acyl phosphates Amino acids Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydroxy fatty acids Imidolactams L-alpha-amino acids Medium-chain fatty acids Monoalkyl phosphates Monoalkylamines Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic salts Organopnictogen compounds Oxacyclic compounds Pentose phosphates Secondary alcohols Tetrahydrofurans 1,2-diol 5'-acylphosphoadenosine 6-aminopurine Acyl phosphate Alcohol Alkyl phosphate Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Dicarboxylic acid or derivatives Fatty acid Fatty acyl Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy fatty acid Imidazole Imidazopyrimidine Imidolactam L-alpha-amino acid Medium-chain fatty acid Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary aliphatic amine Primary amine Purine Pyrimidine Secondary alcohol Tetrahydrofuran Solid logp -2.24 ALOGPS logs -2.33 ALOGPS solubility 2.31e+00 g/l ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 0.78 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (2S)-2-amino-6-[({[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-6-oxohexanoic acid ChemAxon average_mass 490.3618 ChemAxon mono_mass 490.121327498 ChemAxon smiles N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O ChemAxon formula C16H23N6O10P ChemAxon inchi InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1 ChemAxon inchikey POJWEBKSMOTPNS-ILUWSIKFSA-N ChemAxon polar_surface_area 255.46 ChemAxon refractivity 106.46 ChemAxon polarizability 43.51 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24889 Specdb::CMs 39145 Specdb::CMs 161064 Specdb::MsMs 321166 Specdb::MsMs 321167 Specdb::MsMs 321168 Specdb::MsMs 368707 Specdb::MsMs 368708 Specdb::MsMs 368709 Specdb::MsMs 2682840 Specdb::MsMs 2682841 Specdb::MsMs 2682842 Specdb::MsMs 3022620 Specdb::MsMs 3022621 Specdb::MsMs 3022622 Specdb::NmrOneD 150600 Specdb::NmrOneD 150601 Specdb::NmrOneD 150602 Specdb::NmrOneD 150603 Specdb::NmrOneD 150604 Specdb::NmrOneD 150605 Specdb::NmrOneD 150606 Specdb::NmrOneD 150607 Specdb::NmrOneD 150608 Specdb::NmrOneD 150609 Specdb::NmrOneD 150610 Specdb::NmrOneD 150611 Specdb::NmrOneD 150612 Specdb::NmrOneD 150613 Specdb::NmrOneD 150614 Specdb::NmrOneD 150615 Specdb::NmrOneD 150616 Specdb::NmrOneD 150617 Specdb::NmrOneD 150618 Specdb::NmrOneD 150619 HMDB06941 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 Acyl-CoA synthetase family member 4 Q4L235 AASDH L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Q9NRN7 AASDHPPT