1.0 2010-04-08 22:09:20 UTC 2018-05-28 22:25:12 UTC FDB010844 Lacto-N-neotetraose Isolated from human milk 10697138; 1370278; 14533820; 16239538; 16441441; 17101655; 17372007; 1910009; 2452383; 2474254; 2988366; 3926023; 6083447; 6798116; 6874813; 8193150; 8416736; 9353017); Neolactotetraose is a common oligosaccharide present in human breast milk. After lactose and lipids, human milk oligosaccharides (HMOs) are quantitatively the third largest and most diverse component of breast milk. These small mass HMOs are selectively metabolized by select bifidobacterial strains and represent a potential new class of bioactive molecules functioning as prebiotics to facilitate protective gut colonization in breast-fed newborns. The oligosaccharide composition of human milk varies among individuals. The geographical origin of the donors is one of the factors that accounts for this variability. This can be explained by genetically determined traits that are not uniformly distributed. (PMID: 10420591. Lacto-n-neo-tetraose Lacto-N-neotetraose LNNT O-beta-D-Galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-glucose O-beta-D-Galactopyranosyl-(1->4)-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-glucopyranose O-beta-delta-Galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-glucose O-beta-delta-Galactopyranosyl-(1->4)-O-2-acetamido-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-delta-glucopyranose C26H45NO21 707.6296 707.248407507 N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)ethanimidic acid N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)ethanimidic acid 13007-32-4 CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)OC2CO)C1O InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32) IEQCXFNWPAHHQR-UHFFFAOYSA-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. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Acetamides Carbonyl compounds Hemiacetals Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Solid logp -2.62 ALOGPS logs -0.33 ALOGPS solubility 3.31e+02 g/l ALOGPS melting_point Mp 214-218° logp -7.7 ChemAxon pka_strongest_acidic 5.46 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)ethanimidic acid ChemAxon average_mass 707.6296 ChemAxon mono_mass 707.248407507 ChemAxon smiles CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)OC2CO)C1O ChemAxon formula C26H45NO21 ChemAxon inchi InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32) ChemAxon inchikey IEQCXFNWPAHHQR-UHFFFAOYSA-N ChemAxon polar_surface_area 360.19 ChemAxon refractivity 144.79 ChemAxon polarizability 66.57 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76827 Specdb::MsMs 76828 Specdb::MsMs 76829 Specdb::MsMs 136770 Specdb::MsMs 136771 Specdb::MsMs 136772 Specdb::MsMs 3442387 Specdb::MsMs 3442388 Specdb::MsMs 3442389 Specdb::MsMs 3442390 Specdb::MsMs 3442391 Specdb::MsMs 3442392 Specdb::NmrOneD 232038 Specdb::NmrOneD 232039 Specdb::NmrOneD 232040 Specdb::NmrOneD 232041 Specdb::NmrOneD 232042 Specdb::NmrOneD 232043 Specdb::NmrOneD 232044 Specdb::NmrOneD 232045 Specdb::NmrOneD 232046 Specdb::NmrOneD 232047 Specdb::NmrOneD 232048 Specdb::NmrOneD 232049 Specdb::NmrOneD 232050 Specdb::NmrOneD 232051 Specdb::NmrOneD 232052 Specdb::NmrOneD 232053 Specdb::NmrOneD 232054 Specdb::NmrOneD 232055 Specdb::NmrOneD 232056 Specdb::NmrOneD 232057 Specdb::CMs 930441 Specdb::CMs 930442 Specdb::CMs 930443 Specdb::CMs 930444 Specdb::CMs 930445 Specdb::CMs 930446 Specdb::CMs 930447 Specdb::CMs 930448 Specdb::CMs 930449 Specdb::CMs 930450 Specdb::CMs 930451 Specdb::CMs 930452 Specdb::CMs 930453 Specdb::CMs 930454 Specdb::CMs 930455 Specdb::CMs 930456 Specdb::CMs 930457 Specdb::CMs 930458 Specdb::CMs 930459 Specdb::CMs 930460 Specdb::CMs 930461 Specdb::CMs 930462 Specdb::CMs 930463 Specdb::CMs 930464 Specdb::CMs 930465 HMDB06567 #<Reference:0x000055ce31d605d8> Alpha-(1,3)-fucosyltransferase Q9Y231 FUT9