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CHEBI:77378 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-Kdo

ChEBI IDCHEBI:77378
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-Kdo
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-Kdo
DefinitionA branched amino heptasaccharide consisting of a linear pentasaccharide chain of N-acetyl-β-D-glucosamine, β-D-galactose, β-D-glucose, L-glycero-α-D-manno-heptose (Hep) and 3-deoxy-D-manno-oct-2-ulose (Kdo) residues linked in a (1→3), (1→4), (1→4), (1→5) sequence, to the Hep residue of which is linked (1→3) an N-acetyl-α-D-glucosaminyl-(1→2)-L-glycero-α-D-manno-heptosyl side-chain. lpt3 and and lgtB mutant of the core oligosaccharide of Neisseria meningitidis.
Last Modified19 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H84N2O40
Net Charge0
Average Mass1353.196
Monoisotopic Mass1352.46004
SMILES[H][C@]1([C@H](O)CO)OC(O)(C(=O)O)C[C@@H](O)[C@H]1O[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChIInChI=1S/C50H84N2O40/c1-11(60)51-21-26(69)23(66)17(7-56)80-43(21)88-39-25(68)19(9-58)82-46(32(39)75)87-38-20(10-59)83-45(31(74)30(38)73)91-42-36(15(64)5-54)86-47(85-35-13(62)3-50(79,49(77)78)92-37(35)16(65)6-55)33(76)40(42)89-48-41(29(72)28(71)34(84-48)14(63)4-53)90-44-22(52-12(2)61)27(70)24(67)18(8-57)81-44/h13-48,53-59,62-76,79H,3-10H2,1-2H3,(H,51,60)(H,52,61)(H,77,78)/t13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42-,43+,44-,45+,46+,47+,48-,50?/m1/s1
InChIKeyOYZIYLAESFVNBZ-ILIXBLGPSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-Kdo (CHEBI:77378) is a amino heptasaccharide (CHEBI:70970)
IUPAC Names 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-D-manno-oct-2-ulopyranosonic acid
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-L-erythro-hex-2-ulopyranosonic acid
Synonyms  Source
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→4)-[α-D-GlcNAc-(1→2)-L-α-D-Hep-(1→3)]-L-α-D-Hep-(1→5)-KdoChEBI
N-acetyl-α-D-glucosaminyl-(1→2)-L-glycero-α-D-manno-heptosyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-D-manno-oct-2-ulosonic acidChEBI
Citations