2.0 2012-05-31 14:40:24 -0600 2015-06-03 17:19:50 -0600 ECMDB20349 M2MDB001177 Maltoheptaose Maltoheptaose is a member of the chemical class known as Hexose Oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses. a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-D-GLC Alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-D-Glc GLC(a1-4)GLC(a1-4)GLC(a1-4)GLC(a1-4)GLC(a1-4)GLC(a1-4)GLC Glc(alpha1-4)Glc(alpha1-4)Glc(alpha1-4)Glc(alpha1-4)Glc(alpha1-4)Glc(alpha1-4)Glc GLC(α1-4)GLC(α1-4)GLC(α1-4)GLC(α1-4)GLC(α1-4)GLC(α1-4)GLC Maltoheptose α-D-GLC-(1->4)-α-D-GLC-(1->4)-α-D-GLC-(1->4)-α-D-GLC-(1->4)-α-D-GLC-(1->4)-α-D-GLC-(1->4)-D-GLC C42H72O36 1152.9995 1152.380328696 (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5-tris({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5-tris({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 1980-14-9 [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC[C@@]2([H])OC([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O InChI=1S/C42H72O36/c43-1-8-15(49)21(55)27(61)36(67-8)66-7-14-32(74-37-28(62)22(56)16(50)9(2-44)68-37)34(76-39-30(64)24(58)18(52)11(4-46)70-39)35(77-40-31(65)25(59)19(53)12(5-47)71-40)42(73-14)78-41-33(26(60)20(54)13(6-48)72-41)75-38-29(63)23(57)17(51)10(3-45)69-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42?/m1/s1 WWDPIUOBYLGGIJ-KIXFCQHQSA-N Cytosol logp -2.22 ALOGPS logs -0.21 ALOGPS solubility 7.06e+02 g/l ALOGPS logp -14 ChemAxon pka_strongest_acidic 11.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5-tris({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 1152.9995 ChemAxon mono_mass 1152.380328696 ChemAxon smiles [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC[C@@]2([H])OC([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O ChemAxon formula C42H72O36 ChemAxon inchi InChI=1S/C42H72O36/c43-1-8-15(49)21(55)27(61)36(67-8)66-7-14-32(74-37-28(62)22(56)16(50)9(2-44)68-37)34(76-39-30(64)24(58)18(52)11(4-46)70-39)35(77-40-31(65)25(59)19(53)12(5-47)71-40)42(73-14)78-41-33(26(60)20(54)13(6-48)72-41)75-38-29(63)23(57)17(51)10(3-45)69-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42?/m1/s1 ChemAxon inchikey WWDPIUOBYLGGIJ-KIXFCQHQSA-N ChemAxon polar_surface_area 585.28 ChemAxon refractivity 230.4 ChemAxon polarizability 105.74 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 36 ChemAxon donor_count 23 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 5370 Specdb::NmrOneD 343988 Specdb::NmrOneD 343989 Specdb::NmrOneD 343990 Specdb::NmrOneD 343991 Specdb::NmrOneD 343992 Specdb::NmrOneD 343993 Specdb::NmrOneD 343994 Specdb::NmrOneD 343995 Specdb::NmrOneD 343996 Specdb::NmrOneD 343997 Specdb::NmrOneD 343998 Specdb::NmrOneD 343999 Specdb::NmrOneD 344000 Specdb::NmrOneD 344001 Specdb::NmrOneD 344002 Specdb::NmrOneD 344003 Specdb::NmrOneD 344004 Specdb::NmrOneD 344005 Specdb::NmrOneD 344006 Specdb::NmrOneD 344007 Specdb::MsMs 28979 Specdb::MsMs 28980 Specdb::MsMs 28981 Specdb::MsMs 35537 Specdb::MsMs 35538 Specdb::MsMs 35539 HMDB13000 3037125 2300950 CPD0-1133 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 Maltodextrin phosphorylase P00490 PHSM_ECOLI malP http://ecmdb.ca/proteins/P00490.xml 4-alpha-glucanotransferase P15977 MALQ_ECOLI malQ http://ecmdb.ca/proteins/P15977.xml Maltodextrin glucosidase P21517 MALZ_ECOLI malZ http://ecmdb.ca/proteins/P21517.xml Water + Maltoheptaose > D-Glucose + Maltohexaose D-Maltose + Maltohexaose > D-Glucose + Maltoheptaose Maltoheptaose + Phosphate <> Glucose 1-phosphate + Maltohexaose