1.0 2016-09-30 22:30:51 UTC 2020-04-22 15:03:38 UTC BMDB0000445 BMDB00445 Alpha-Tetrasaccharide a-Tetrasaccharide Α-tetrasaccharide a-D-GalNAc-(1->3)[a-L-fuc-(1->2)]-b-D-gal-(1->4)-D-GLC alpha-D-GalNAc-(1->3)[a-L-fuc-(1->2)]-beta-D-gal-(1->4)-D-GLC alpha-delta-GalNAc-(1->3)[a-L-fuc-(1->2)]-beta-delta-gal-(1->4)-delta-GLC O-2-(Acetylamino)-2-deoxy-a-D-galactopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->2)]-O-b-D-galactopyranosyl-(1->4)-D-glucose O-2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->4)-D-glucose O-2-(Acetylamino)-2-deoxy-alpha-delta-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-delta-galactopyranosyl-(1->4)-delta-glucose GalNAc-1-3-(fuc-1-2)gal-1-4-GLC-pa N-Acetylgalactosaminyl-1-3-(fucopyranosyl-1-2)-galactopyranosyl-1-4-glucopyranosyl-pyridylamino N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-{[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidate C26H45NO20 691.6302 691.253492885 N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-{[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]acetamide N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-{[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]acetamide 59957-92-5 [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O InChI=1S/C26H45NO20/c1-7-14(35)19(40)20(41)25(42-7)47-23-22(46-24-13(27-8(2)32)18(39)16(37)11(5-30)43-24)17(38)12(6-31)44-26(23)45-21(10(34)4-29)15(36)9(33)3-28/h3,7,9-26,29-31,33-41H,4-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20-,21+,22-,23+,24+,25-,26-/m0/s1 DLJLMAWPOOWMRF-BFJQYDNNSA-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 Acetamides Alkyl glycosides Alpha-hydroxyaldehydes Beta-hydroxy aldehydes 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 Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Glycosyl compound 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 Aliphatic heteromonocyclic compounds Solid logp -2.23 ALOGPS logs -0.83 ALOGPS logp -8.1 ChemAxon pka_strongest_acidic 11.47 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-{[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]acetamide ChemAxon average_mass 691.6302 ChemAxon mono_mass 691.253492885 ChemAxon smiles [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O ChemAxon formula C26H45NO20 ChemAxon inchi InChI=1S/C26H45NO20/c1-7-14(35)19(40)20(41)25(42-7)47-23-22(46-24-13(27-8(2)32)18(39)16(37)11(5-30)43-24)17(38)12(6-31)44-26(23)45-21(10(34)4-29)15(36)9(33)3-28/h3,7,9-26,29-31,33-41H,4-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20-,21+,22-,23+,24+,25-,26-/m0/s1 ChemAxon inchikey DLJLMAWPOOWMRF-BFJQYDNNSA-N ChemAxon polar_surface_area 344.31 ChemAxon refractivity 144.14 ChemAxon polarizability 64.14 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 20 ChemAxon donor_count 13 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 24277 Specdb::MsMs 319768 Specdb::MsMs 319769 Specdb::MsMs 319770 Specdb::MsMs 366991 Specdb::MsMs 366992 Specdb::MsMs 366993 Specdb::MsMs 2799037 Specdb::MsMs 2799038 Specdb::MsMs 2799039 Specdb::MsMs 2883692 Specdb::MsMs 2883693 Specdb::MsMs 2883694 Specdb::NmrOneD 143930 Specdb::NmrOneD 143931 Specdb::NmrOneD 143932 Specdb::NmrOneD 143933 Specdb::NmrOneD 143934 Specdb::NmrOneD 143935 Specdb::NmrOneD 143936 Specdb::NmrOneD 143937 Specdb::NmrOneD 143938 Specdb::NmrOneD 143939 Specdb::NmrOneD 143940 Specdb::NmrOneD 143941 Specdb::NmrOneD 143942 Specdb::NmrOneD 143943 Specdb::NmrOneD 143944 Specdb::NmrOneD 143945 Specdb::NmrOneD 143946 Specdb::NmrOneD 143947 Specdb::NmrOneD 143948 Specdb::NmrOneD 143949 FDB022050 13628089 21252248 C06768 5434 Narimatsu, Hisashi; Kudo, Takashi; Sasaki, Katsutoshi. Cloning of cDNA or gene for a1,3-Fucosyltransferase Fuc-TIX from mouse and human and use of the encoding sequences and protein products. PCT Int. Appl. (2000), 172 pp. CODEN: PIXXD2 WO 2000006708 A1 20000210 CAN 132:148489 AN 2000:98730