1.0 2016-09-30 23:23:19 UTC 2020-04-22 15:17:50 UTC BMDB0006557 BMDB06557 ADP-glucose Adenosine diphosphate glucose Adenosine diphosphoglucose Adenosine pyrophosphateglucose ADPG ADPglucose ADP-alpha-D-Glucose Adenosine diphosphoric acid glucose ADP-a-D-Glucose ADP-Α-D-glucose Adenosine 5'-(trihydrogen diphosphate) glucopyranosyl ester Adenosine 5'-(trihydrogen diphosphate) p'-alpha-delta-glucopyranosyl ester Adenosine 5'-(trihydrogen pyrophosphate) mono-D-glucosyl ester Adenosine 5'-(trihydrogen pyrophosphate) mono-delta-glucosyl ester Adenosine 5'-diphosphoglucose Adenosine 5'-pyrophosphate a-delta-glucosyl ester Adenosine 5'-pyrophosphate alpha-D-glucosyl ester Adenosine 5'-pyrophosphate alpha-delta-glucosyl ester Adenosine 5'-pyrophosphate glucosyl ester Adenosine 5'-pyrophosphate mono-D-glucosyl ester Adenosine 5'-pyrophosphate mono-delta-glucosyl ester Adenosine diphosphate D-glucose Adenosine pyrophosphate-glucose Adenosine-5'-diphosphate-glucose ADP-D-Glucose ADP Glucose Diphosphate glucose, adenosine Diphosphoglucose, adenosine Glucose, ADP Glucose, adenosine diphosphate Pyrophosphateglucose, adenosine Adenosine 5'-(trihydrogen pyrophosphate) mono-alpha-D-glucosyl ester Adenosine 5'-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester Adenosine 5’-(trihydrogen pyrophosphate) mono-D-glucosyl ester Adenosine 5’-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester Adenosine 5’-diphosphoglucose Adenosine 5’-pyrophosphate mono-D-glucosyl ester ADP-Glucose C16H25N5O15P2 589.3417 589.082238179 [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid adp glucose 2140-58-1 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 WFPZSXYXPSUOPY-ROYWQJLOSA-N belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine nucleotide sugars Purine nucleotide sugars 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Oxanes Pentose phosphates Polyols Primary alcohols Primary amines Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary alcohol Primary amine Purine Purine nucleotide sugar Purine ribonucleoside diphosphate Purine ribonucleoside monophosphate Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds ADP-aldose alpha-D-glucoside Solid logp -1.76 ALOGPS logs -2.09 ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic 3.99 ChemAxon iupac [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid ChemAxon average_mass 589.3417 ChemAxon mono_mass 589.082238179 ChemAxon smiles NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 ChemAxon formula C16H25N5O15P2 ChemAxon inchi InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 ChemAxon inchikey WFPZSXYXPSUOPY-ROYWQJLOSA-N ChemAxon polar_surface_area 311.75 ChemAxon refractivity 117.09 ChemAxon polarizability 48.69 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 23948 Specdb::MsMs 23949 Specdb::MsMs 23950 Specdb::MsMs 30746 Specdb::MsMs 30747 Specdb::MsMs 30748 Specdb::MsMs 1470782 Specdb::MsMs 1470783 Specdb::MsMs 1471119 Specdb::MsMs 1471131 Specdb::MsMs 2231247 Specdb::MsMs 2232976 Specdb::MsMs 2233644 Specdb::MsMs 2235269 Specdb::MsMs 2844704 Specdb::MsMs 2844705 Specdb::MsMs 2844706 Specdb::MsMs 2860495 Specdb::MsMs 2860496 Specdb::MsMs 2860497 Specdb::NmrOneD 74812 Specdb::NmrOneD 74813 Specdb::NmrOneD 74814 Specdb::NmrOneD 74815 Specdb::NmrOneD 74816 Specdb::NmrOneD 74817 Specdb::NmrOneD 74818 Specdb::NmrOneD 74819 Specdb::NmrOneD 74820 Specdb::NmrOneD 74821 Specdb::NmrOneD 74822 Specdb::NmrOneD 74823 Specdb::NmrOneD 74824 Specdb::NmrOneD 74825 Specdb::NmrOneD 74826 Specdb::NmrOneD 74827 Specdb::NmrOneD 74828 Specdb::NmrOneD 74829 Specdb::NmrOneD 74830 Specdb::NmrOneD 74831 Specdb::CMs 14516 Specdb::CMs 39040 Specdb::CMs 282852 Specdb::CMs 415412 Specdb::CMs 415413 Specdb::CMs 415414 Specdb::CMs 415415 Specdb::CMs 415416 Specdb::CMs 415417 Specdb::CMs 415418 Specdb::CMs 415419 Specdb::CMs 415420 Specdb::CMs 415421 Specdb::CMs 415422 Specdb::CMs 415423 Specdb::CMs 415424 Specdb::CMs 415425 Specdb::CMs 415426 Specdb::CMs 415427 Specdb::CMs 415428 Specdb::CMs 415429 Specdb::CMs 415430 Specdb::CMs 415431 Specdb::CMs 415432 Specdb::CMs 415433 C00498 DB01774 FDB112366 15642 16500 15751 ADP-D-GLUCOSE C00007354 35161 Tamura, Kiminori; Morozumi, Manami; Yoshino, Hiroshi; Noda, Yutaka; Suzuki, Morio. Nucleotide anhydrides. Ger. Offen. (1972), 16 pp. CODEN: GWXXBX DE 2038262 19720203 CAN 76:99993 AN 1972:99993