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CHEBI:59518 - β-D-Galp-(1→2)-L-glycero-α-D-manno-Hepp-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)-L-glycero-α-D-manno-Hepp-(1→5)-Kdo

ChEBI IDCHEBI:59518
ChEBI Nameβ-D-Galp-(1→2)-L-glycero-α-D-manno-Hepp-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)-L-glycero-α-D-manno-Hepp-(1→5)-Kdo
Stars
ASCII Namebeta-D-Galp-(1->2)-L-glycero-alpha-D-manno-Hepp-(1->2)-L-glycero-alpha-D-manno-Hepp-(1->3)-L-glycero-alpha-D-manno-Hepp-(1->5)-Kdo
DefinitionA linear pentasaccharide consisting of a β-D-galactose residue, three L-glycero-α-D-manno-heptose residues and (at the reducing end) a 3-deoxy-α-D-manno-oct-2-ulopyranosonic acid (Kdo) residue linked sequentially (1→2), (1→2), (1→3) and (1→5); the structure is that of the pentasaccharide epitope from Haemophilus influenzae MAHI 4.
Last Modified25 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC35H60O31
Net Charge0
Average Mass976.834
Monoisotopic Mass976.31186
SMILES[H][C@]1([C@H](O)CO)O[C@@](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](O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[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]2O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[Aad1122h-2a_2-6][a11221h-1a_1-5][a2112h-1b_1-5]/1-2-2-2-3/a5-b1_b3-c1_c2-d1_d2-e1
InChIInChI=1S/C35H60O31/c36-2-8(42)22-16(49)18(51)29(65-33-28(17(50)15(48)23(61-33)9(43)3-37)64-30-19(52)14(47)13(46)12(6-40)58-30)32(60-22)63-27-20(53)24(10(44)4-38)59-31(21(27)54)62-25-7(41)1-35(57,34(55)56)66-26(25)11(45)5-39/h7-33,36-54,57H,1-6H2,(H,55,56)/t7-,8+,9+,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33-,35-/m1/s1
InChIKeyXUCUZICTXUSESR-CFWVAZGNSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→2)-L-glycero-α-D-manno-Hepp-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)-L-glycero-α-D-manno-Hepp-(1→5)-Kdo (CHEBI:59518) has role epitope (CHEBI:53000)
β-D-Galp-(1→2)-L-glycero-α-D-manno-Hepp-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)-L-glycero-α-D-manno-Hepp-(1→5)-Kdo (CHEBI:59518) is a pentasaccharide (CHEBI:35369)
IUPAC Name 
β-D-galactopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
β-D-Gal-(1→2)-L-glycero-α-D-manno-Hep-(1→2)-L-glycero-α-D-manno-Hep-(1→3)-L-glycero-α-D-manno-Hep-(1→5)-KdoChEBI
β-D-Gal-(1→2)-L-α-D-Hep-(1→2)-L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-KdoChEBI
β-D-galactosyl-(1→2)-L-glycero-α-D-manno-heptosyl-(1→2)-L-glycero-α-D-manno-heptosyl-(1→3)-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulosonic acidChEBI
Galβ1-2Hepα1-2Hepα1-3Hepα1-5KdoChEBI
Citations