2.0 2012-07-30 14:54:47 -0600 2015-06-03 17:20:50 -0600 ECMDB21184 M2MDB001593 Acetyl-maltose Acetyl-maltose is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates. 1-O-Acetyl-4-O-a-D-glucopyranosyl-a-D-glucopyranose 1-O-Acetyl-4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose 1-O-Acetyl-4-O-α-D-glucopyranosyl-α-D-glucopyranose 6-O-Acetyl-a-D-glucopyranosyl-(1->4)-D-glucose 6-O-Acetyl-alpha-D-glucopyranosyl-(1->4)-D-glucose 6-O-Acetyl-α-D-glucopyranosyl-(1->4)-D-glucose a-D-Glucopyranosyl-(1Right4)-1-O-acetyl-a-D-glucopyranose Acetyl-maltose Alpha-D-Glucopyranosyl-(1right4)-1-O-acetyl-alpha-D-glucopyranose α-D-Glucopyranosyl-(1Right4)-1-O-acetyl-α-D-glucopyranose C14H24O12 384.3332 384.126776232 (2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl acetate acetyl-maltose [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OC(C)=O)O[C@]2([H])CO)[C@]1([H])O InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-/m1/s1 QBQSGZSHVKFNMZ-SASNSOKNSA-N Cytosol logp -2.37 ALOGPS logs -0.02 ALOGPS solubility 3.71e+02 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl acetate ChemAxon average_mass 384.3332 ChemAxon mono_mass 384.126776232 ChemAxon smiles [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OC(C)=O)O[C@]2([H])CO)[C@]1([H])O ChemAxon formula C14H24O12 ChemAxon inchi InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-/m1/s1 ChemAxon inchikey QBQSGZSHVKFNMZ-SASNSOKNSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 77.49 ChemAxon polarizability 35.67 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083624 Specdb::EiMs 3868 Specdb::NmrOneD 310651 Specdb::NmrOneD 310652 Specdb::NmrOneD 310653 Specdb::NmrOneD 310654 Specdb::NmrOneD 310655 Specdb::NmrOneD 310656 Specdb::NmrOneD 310657 Specdb::NmrOneD 310658 Specdb::NmrOneD 310659 Specdb::NmrOneD 310660 Specdb::NmrOneD 310661 Specdb::NmrOneD 310662 Specdb::NmrOneD 310663 Specdb::NmrOneD 310664 Specdb::NmrOneD 310665 Specdb::NmrOneD 310666 Specdb::NmrOneD 310667 Specdb::NmrOneD 310668 Specdb::NmrOneD 310669 Specdb::NmrOneD 310670 Specdb::MsMs 25724 Specdb::MsMs 25725 Specdb::MsMs 25726 Specdb::MsMs 32282 Specdb::MsMs 32283 Specdb::MsMs 32284 188 9524553 C02130 2411 ACETYLMALTOSE Maltose O-acetyltransferase P77791 MAA_ECOLI maa http://ecmdb.ca/proteins/P77791.xml Acetyl-CoA + D-Maltose <> Acetyl-maltose + Coenzyme A MALTACETYLTRAN-RXN Acetyl-CoA + D-Maltose > CoA + Acetyl-maltose