1.0 2016-09-30 22:43:14 UTC 2020-05-11 20:48:33 UTC BMDB0001262 BMDB01262 Maltotriose Maltotriose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Maltotriose is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Maltotriose exists in all living organisms, ranging from bacteria to humans. (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-D-GLC alpha-D-Glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-D-glucoose Amylotriose D-Maltotriose Glcalpha1-4glcalpha1-4GLC WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a4-b1_b4-C1 a-D-GLC-(1->4)-a-D-GLC-(1->4)-D-GLC Α-D-GLC-(1->4)-α-D-GLC-(1->4)-D-GLC a-D-Glucosyl-(1->4)-a-D-glucosyl-(1->4)-D-glucoose Α-D-glucosyl-(1->4)-α-D-glucosyl-(1->4)-D-glucoose 4-O-(4-O-Hexopyranosylhexopyranosyl)hexose D-(+)-Maltotriose delta-(+)-Maltotriose O-alpha-D-Glucopyranosyl-(1beta94)-O-alpha-D-glucopyranosyl-(1beta94)-O-alpha-D-glucose O-alpha-delta-Glucopyranosyl-(1beta94)-O-alpha-delta-glucopyranosyl-(1beta94)-O-alpha-delta-glucose C18H32O16 504.4371 504.169034976 (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol maltotriose 1109-28-0 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Oligosaccharides Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.74 ALOGPS logs 0.04 ALOGPS logp -6.5 ChemAxon pka_strongest_acidic 11.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 ChemAxon inchikey FYGDTMLNYKFZSV-DZOUCCHMSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 100.75 ChemAxon polarizability 46.65 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1614 Specdb::NmrOneD 1673 Specdb::NmrOneD 87632 Specdb::NmrOneD 87633 Specdb::NmrOneD 87634 Specdb::NmrOneD 87635 Specdb::NmrOneD 87636 Specdb::NmrOneD 87637 Specdb::NmrOneD 87638 Specdb::NmrOneD 87639 Specdb::NmrOneD 87640 Specdb::NmrOneD 87641 Specdb::NmrOneD 87642 Specdb::NmrOneD 87643 Specdb::NmrOneD 87644 Specdb::NmrOneD 87645 Specdb::NmrOneD 87646 Specdb::NmrOneD 87647 Specdb::NmrOneD 87648 Specdb::NmrOneD 87649 Specdb::NmrOneD 87650 Specdb::NmrOneD 87651 Specdb::CMs 722 Specdb::CMs 723 Specdb::CMs 724 Specdb::CMs 725 Specdb::CMs 726 Specdb::CMs 727 Specdb::CMs 12583 Specdb::CMs 31916 Specdb::CMs 31917 Specdb::CMs 37997 Specdb::CMs 168767 Specdb::CMs 168769 Specdb::CMs 168771 Specdb::CMs 168774 Specdb::CMs 168776 Specdb::CMs 168778 Specdb::CMs 168780 Specdb::CMs 168782 Specdb::CMs 168784 Specdb::CMs 168786 Specdb::CMs 168789 Specdb::CMs 168791 Specdb::CMs 168793 Specdb::CMs 168795 Specdb::CMs 168798 Specdb::MsMs 1494 Specdb::MsMs 1495 Specdb::MsMs 1496 Specdb::MsMs 5167 Specdb::MsMs 5168 Specdb::MsMs 293710 Specdb::MsMs 293711 Specdb::MsMs 293712 Specdb::MsMs 334234 Specdb::MsMs 334235 Specdb::MsMs 334236 Specdb::MsMs 2226735 Specdb::MsMs 2228010 Specdb::MsMs 2229052 Specdb::MsMs 2230382 Specdb::MsMs 2231378 Specdb::MsMs 2232848 Specdb::MsMs 2233789 Specdb::MsMs 2235136 Specdb::MsMs 2255878 Specdb::MsMs 2813576 Specdb::MsMs 2813577 Specdb::MsMs 2813578 Specdb::MsMs 2891532 Specdb::MsMs 2891533 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 Milk 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 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C01835 388669 FDB001196 439586 140999 C00055979 MALTOTRIOSE 38512 Maltotriose 3585 Wallenfels, Kurt; Bender, Hans. Maltotriose. (1965), 2 pp. 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