1.0 2016-09-30 23:02:09 UTC 2020-05-05 18:38:02 UTC BMDB0002923 BMDB02923 Isomaltose Melibiose, also known as isomaltose, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Melibiose is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Melibiose exists in all living species, ranging from bacteria to humans. Melibiose participates in a number of enzymatic reactions, within cattle. In particular, Melibiose and D-galactose can be biosynthesized from Alpha-lactose; which is mediated by the enzyme Alpha-galactosidase a. In addition, Melibiose can be converted into D-galactose through its interaction with the enzyme Alpha-galactosidase a. In cattle, melibiose is involved in the metabolic pathway called the galactose metabolism pathway. 6-O-alpha-D-Glucopyranosyl-D-glucose 6-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose 6-O-Α-D-glucopyranosyl-D-glucose 6-O-Α-D-glucopyranosyl-β-D-glucopyranose D-Isomaltose beta-D-Isomaltose beta-Isomaltose Β-D-isomaltose Β-isomaltose Isomaltose C12H22O11 342.2965 342.116211546 (2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol (2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol 37169-69-0 OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1 DLRVVLDZNNYCBX-BTLHAWITSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl compounds Acetals Disaccharides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -3.00 ALOGPS logs 0.17 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1 ChemAxon inchikey DLRVVLDZNNYCBX-BTLHAWITSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 31.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 2047 Specdb::CMs 2165 Specdb::CMs 2193 Specdb::CMs 163927 Specdb::NmrOneD 5224 Specdb::NmrOneD 5225 Specdb::NmrOneD 129058 Specdb::NmrOneD 129059 Specdb::NmrOneD 129060 Specdb::NmrOneD 129061 Specdb::NmrOneD 129062 Specdb::NmrOneD 129063 Specdb::NmrOneD 129064 Specdb::NmrOneD 129065 Specdb::NmrOneD 129066 Specdb::NmrOneD 129067 Specdb::NmrOneD 129068 Specdb::NmrOneD 129069 Specdb::NmrOneD 129070 Specdb::NmrOneD 129071 Specdb::NmrOneD 129072 Specdb::NmrOneD 129073 Specdb::NmrOneD 129074 Specdb::NmrOneD 129075 Specdb::NmrOneD 129076 Specdb::NmrOneD 129077 Specdb::MsMs 1448471 Specdb::MsMs 1448472 Specdb::MsMs 1448473 Specdb::MsMs 3053711 Specdb::MsMs 3053712 Specdb::MsMs 3053713 Specdb::MsMs 3116931 Specdb::MsMs 3116932 Specdb::MsMs 3116933 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Milk Milk from Friesuan Holstein cows (n=1035) Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 Milk Colman E, Fokkink WB, Craninx M, Newbold JR, De Baets B, Fievez V: Effect of induction of subacute ruminal acidosis on milk fat profile and rumen parameters. J Dairy Sci. 2010 Oct;93(10):4759-73. doi: 10.3168/jds.2010-3158. 20855010 10357 Isomaltose Colman E, Fokkink WB, Craninx M, Newbold JR, De Baets B, Fievez V: Effect of induction of subacute ruminal acidosis on milk fat profile and rumen parameters. J Dairy Sci. 2010 Oct;93(10):4759-73. doi: 10.3168/jds.2010-3158. 20855010