1.0 2016-09-30 23:05:08 UTC 2020-05-11 20:34:44 UTC BMDB0003539 BMDB03539 Levan Polyfructose (2,6-beta-D-Fructosyl)N (2,6-beta-D-Fructosyl)n+1 (2,6-beta-delta-Fructosyl)N (2,6-beta-delta-Fructosyl)n+1 2,6-beta-D-Fructan 2,6-beta-delta-Fructan Fructan Levan N C18H32O16 504.4371 504.169034976 (2R,3S,4S,5S)-5-{[(2S,3S,4S,5R)-5-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methoxy}-2-(hydroxymethyl)oxolane-2,3,4-triol fructans 9013-95-0 OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(CO[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-7-9(23)14(28)18(5-22,33-7)31-2-8-10(24)12(26)16(3-20,32-8)6-30-15-11(25)13(27)17(29,4-21)34-15/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 AIHDCSAXVMAMJH-GFBKWZILSA-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 C-glycosyl compounds Dialkyl ethers Disaccharides Hemiacetals Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Dialkyl ether Disaccharide Ether Hemiacetal Hydrocarbon derivative Ketal O-glycosyl compound Organoheterocyclic compound Oxacycle Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds Solid logp -2.89 ALOGPS logs -0.21 ALOGPS logp -6.3 ChemAxon pka_strongest_acidic 10.23 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2R,3S,4S,5S)-5-{[(2S,3S,4S,5R)-5-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methoxy}-2-(hydroxymethyl)oxolane-2,3,4-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(CO[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-7-9(23)14(28)18(5-22,33-7)31-2-8-10(24)12(26)16(3-20,32-8)6-30-15-11(25)13(27)17(29,4-21)34-15/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 ChemAxon inchikey AIHDCSAXVMAMJH-GFBKWZILSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 101.84 ChemAxon polarizability 47.62 ChemAxon rotatable_bond_count 10 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::CMs 23574 Specdb::CMs 38624 Specdb::MsMs 318256 Specdb::MsMs 318257 Specdb::MsMs 318258 Specdb::MsMs 364975 Specdb::MsMs 364976 Specdb::MsMs 364977 Specdb::MsMs 2689535 Specdb::MsMs 2689536 Specdb::MsMs 2689537 Specdb::MsMs 2989076 Specdb::MsMs 2989077 Specdb::MsMs 2989078 Specdb::NmrOneD 28182 Specdb::NmrOneD 28183 Specdb::NmrOneD 28184 Specdb::NmrOneD 28185 Specdb::NmrOneD 28186 Specdb::NmrOneD 28187 Specdb::NmrOneD 28188 Specdb::NmrOneD 28189 Specdb::NmrOneD 28190 Specdb::NmrOneD 28191 Specdb::NmrOneD 28192 Specdb::NmrOneD 28193 Specdb::NmrOneD 28194 Specdb::NmrOneD 28195 Specdb::NmrOneD 28196 Specdb::NmrOneD 28197 Specdb::NmrOneD 28198 Specdb::NmrOneD 28199 Specdb::NmrOneD 28200 Specdb::NmrOneD 28201 Pancreas 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 FDB023192 C01355 17216231 C00001647 22833608 Levan 6945 Park, Hae-Eun; Park, Na Hee; Kim, Min-Jeong; Lee, Tae Ho; Lee, Hyeon Gyu; Yang, Ji-Young; Cha, Jaeho. Enzymatic synthesis of fructosyl oligosaccharides by levansucrase from Microbacterium laevaniformans ATCC 15953. Enzyme and Microbial Technology (2003), 32(7) p.820-827