2.0 2012-05-31 13:59:32 -0600 2015-06-03 15:54:24 -0600 ECMDB03536 M2MDB000509 DIDP dIDP (deoxyinoside diphosphate) is a nucleoside. It is an intermediate in purine metabolism. It is converted to dITP or from dITP via multifunctional nucleoside diphosphate kinase and apyrimidinic endonuclease and 3'-phosphodiesterase (EC:2.7.4.6). (KEGG) 2'-Deoxyinosine 5'-diphosphate 2'-Deoxyinosine 5'-diphosphoric acid Deoxyinosine diphosphate Deoxyinosine diphosphoric acid C10H14N4O10P2 412.1865 412.018515712 {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid 2'-deoxyinosine 26575-15-5 O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 BKUSIKGSPSFQAC-RRKCRQDMSA-N Liquid Cytosol logp -1.00 ALOGPS logs -2.06 ALOGPS solubility 3.62e+00 g/l ALOGPS melting_point -45.6 oC logp -2.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic 2.67 ChemAxon iupac {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 412.1865 ChemAxon mono_mass 412.018515712 ChemAxon smiles O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O ChemAxon formula C10H14N4O10P2 ChemAxon inchi InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 ChemAxon inchikey BKUSIKGSPSFQAC-RRKCRQDMSA-N ChemAxon polar_surface_area 202.03 ChemAxon refractivity 81.13 ChemAxon polarizability 33.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Purine metabolism ec00230 Specdb::CMs 17278 Specdb::CMs 38621 Specdb::CMs 132116 Specdb::CMs 139850 Specdb::CMs 153494 Specdb::CMs 153496 Specdb::CMs 153498 Specdb::CMs 153500 Specdb::CMs 153502 Specdb::CMs 279926 Specdb::NmrOneD 28142 Specdb::NmrOneD 28143 Specdb::NmrOneD 28144 Specdb::NmrOneD 28145 Specdb::NmrOneD 28146 Specdb::NmrOneD 28147 Specdb::NmrOneD 28148 Specdb::NmrOneD 28149 Specdb::NmrOneD 28150 Specdb::NmrOneD 28151 Specdb::NmrOneD 28152 Specdb::NmrOneD 28153 Specdb::NmrOneD 28154 Specdb::NmrOneD 28155 Specdb::NmrOneD 28156 Specdb::NmrOneD 28157 Specdb::NmrOneD 28158 Specdb::NmrOneD 28159 Specdb::NmrOneD 28160 Specdb::NmrOneD 28161 Specdb::MsMs 23723 Specdb::MsMs 23724 Specdb::MsMs 23725 Specdb::MsMs 30521 Specdb::MsMs 30522 Specdb::MsMs 30523 Specdb::MsMs 2809049 Specdb::MsMs 2809050 Specdb::MsMs 2809051 Specdb::MsMs 2900586 Specdb::MsMs 2900587 Specdb::MsMs 2900588 HMDB03536 439488 388586 C01344 CPD0-2231 Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Chantin C, Bonin B, Boulieu R, Bory C: Liquid-chromatographic study of purine metabolism abnormalities in purine nucleoside phosphorylase deficiency. Clin Chem. 1996 Feb;42(2):326-8. 8595732 Nucleoside diphosphate kinase P0A763 NDK_ECOLI ndk http://ecmdb.ca/proteins/P0A763.xml UPF0244 protein yjjX P39411 YJJX_ECOLI yjjX http://ecmdb.ca/proteins/P39411.xml Nucleoside diphosphate kinase P0A763 NDK_ECOLI ndk http://ecmdb.ca/proteins/P0A763.xml 2'-Deoxyinosine triphosphate + Water > DIDP + Hydrogen ion + Phosphate Adenosine triphosphate + DIDP <> ADP + 2'-Deoxyinosine triphosphate R03530