1.0 2020-05-05 15:49:04 UTC 2020-05-05 18:38:55 UTC BMDB0109647 Maltitol (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol 4-O-alpha-D-Glucopyranosyl-D-glucitol alpha-D-GLC-(1->4)-D-GLC-ol alpha-D-GLCP-(1->4)-D-GLC-ol alpha-D-Glucosyl-(1->4)-D-glucitol D-Maltitol WURCS=2.0/2,2,1/[H2122H][a2122h-1a_1-5]/1-2/a4-b1 4-O-a-D-Glucopyranosyl-D-glucitol 4-O-Α-D-glucopyranosyl-D-glucitol a-D-GLC-(1->4)-D-GLC-ol Α-D-GLC-(1->4)-D-GLC-ol a-D-GLCP-(1->4)-D-GLC-ol Α-D-GLCP-(1->4)-D-GLC-ol a-D-Glucosyl-(1->4)-D-glucitol Α-D-glucosyl-(1->4)-D-glucitol 4-O-alpha-delta-Glucopyranosyl-delta-glucitol Amalti syrup Amalty MR 100 D-4-O-alpha-D-Glucopyranosylglucitol delta-4-O-alpha-delta-Glucopyranosylglucitol delta-Maltitol Malbit Malti MR Maltisorb Maltit Maltitol C12H24O11 344.3124 344.13186161 (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol maltitol 585-88-6 OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1 VQHSOMBJVWLPSR-WUJBLJFYSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Alkyl glycosides Disaccharides Fatty alcohols Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sugar alcohol Aliphatic heteromonocyclic compounds alpha-D-glucoside logp -3.18 ALOGPS logs 0.04 ALOGPS logp -5.5 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol ChemAxon average_mass 344.3124 ChemAxon mono_mass 344.13186161 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO ChemAxon formula C12H24O11 ChemAxon inchi InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1 ChemAxon inchikey VQHSOMBJVWLPSR-WUJBLJFYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 70.82 ChemAxon polarizability 31.84 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1851 Specdb::MsMs 2170 Specdb::MsMs 2171 Specdb::MsMs 2172 Specdb::MsMs 5806 Specdb::MsMs 309073 Specdb::MsMs 309074 Specdb::MsMs 309075 Specdb::MsMs 353410 Specdb::MsMs 353411 Specdb::MsMs 353412 Specdb::MsMs 2238375 Specdb::MsMs 2239184 Specdb::MsMs 2240397 Specdb::MsMs 2241326 Specdb::MsMs 2242417 Specdb::MsMs 2243419 Specdb::MsMs 2430397 Specdb::MsMs 2430398 Specdb::MsMs 2430399 Specdb::MsMs 2508469 Specdb::MsMs 2508470 Specdb::MsMs 2508471 Specdb::NmrOneD 1916 Specdb::NmrOneD 129098 Specdb::NmrOneD 129099 Specdb::NmrOneD 129100 Specdb::NmrOneD 129101 Specdb::NmrOneD 129102 Specdb::NmrOneD 129103 Specdb::NmrOneD 129104 Specdb::NmrOneD 129105 Specdb::NmrOneD 129106 Specdb::NmrOneD 129107 Specdb::NmrOneD 129108 Specdb::NmrOneD 129109 Specdb::NmrOneD 129110 Specdb::NmrOneD 129111 Specdb::NmrOneD 129112 Specdb::NmrOneD 129113 Specdb::NmrOneD 129114 Specdb::NmrOneD 129115 Specdb::NmrOneD 129116 Specdb::NmrOneD 129117 Specdb::CMs 824 Specdb::CMs 19382 Specdb::CMs 38500 Specdb::CMs 148918 Specdb::CMs 148920 Specdb::CMs 148922 Specdb::CMs 148924 Specdb::CMs 148927 Specdb::CMs 148929 Specdb::CMs 148931 Specdb::CMs 148933 Specdb::CMs 148935 Specdb::CMs 148937 Specdb::CMs 148939 Specdb::CMs 148942 Specdb::CMs 148944 Specdb::CMs 148946 Specdb::CMs 151337 Specdb::CMs 279693 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 FDB020369 432001 493591 68428 CPD-3609 Maltitol 3484