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CHEBI:77314 - β-D-Galp-(1→4)-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:77314
ChEBI Nameβ-D-Galp-(1→4)-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
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-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 octasaccharide consisting of a linear hexasaccharide chain of α-D-galactose, 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→4), (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 mutant of the core oligosaccharide of Neisseria meningitidis.
Last Modified19 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC56H94N2O45
Net Charge0
Average Mass1515.337
Monoisotopic Mass1514.51286
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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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/C56H94N2O45/c1-12(67)57-23-28(76)25(73)18(7-62)89-48(23)101-46-32(80)31(79)38(15(70)4-59)94-54(46)100-45-37(85)53(95-39-14(69)3-56(88,55(86)87)103-41(39)17(72)6-61)96-40(16(71)5-60)47(45)102-51-35(83)33(81)43(22(11-66)93-51)98-52-36(84)44(27(75)20(9-64)91-52)99-49-24(58-13(2)68)29(77)42(21(10-65)92-49)97-50-34(82)30(78)26(74)19(8-63)90-50/h14-54,59-66,69-85,88H,3-11H2,1-2H3,(H,57,67)(H,58,68)(H,86,87)/t14-,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-,49+,50+,51+,52+,53+,54-,56?/m1/s1
InChIKeyONIWFZPCFJXNLC-IUFBKEAUSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-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:77314) is a amino octasaccharide (CHEBI:71060)
IUPAC Names 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-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
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-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-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
β-D-Gal-(1→4)-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)-[β-D-galactosyl-(1→4)-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-α-D-manno-oct-2-ulosonic acidChEBI
Citations