EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167203 - β-D-Galp-(1→3)-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo

ChEBI IDCHEBI:167203
ChEBI Nameβ-D-Galp-(1→3)-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo
Stars
ASCII Namebeta-D-Galp-(1->3)-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo
DefinitionA branched hexasaccharide consisting of a linear tetrasaccharide comprising β-D-galactose, two L-glycero-α-D-manno-heptose (L-α-D-Hep) residues and a 3-deoxy-α-D-manno-oct-2-ulose (α-Kdo) residue linked in sequence (1→3), (1→3) and (1→5), to the L-α-D-Hep residue proximal to the reducing end is also linked (1→4) a β-D-glucose residue, while the α-Kdo residue also carries a second α-Kdo residue linked (2→-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.
Last Modified22 January 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H70O37
Net Charge0
Average Mass1166.985
Monoisotopic Mass1166.35959
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
WURCSWURCS=2.0/4,6,5/[Aad1122h-2a_2-6][a11221h-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5]/1-1-2-2-3-4/a4-b2_a5-c1_c3-d1_c4-f1_d3-e1
InChIInChI=1S/C42H70O37/c43-3-10(50)27-24(61)32(74-35-22(59)20(57)18(55)15(7-47)69-35)25(62)37(71-27)75-33-26(63)38(72-29(12(52)5-45)34(33)76-36-23(60)21(58)19(56)16(8-48)70-36)73-31-14(2-41(68,39(64)65)78-30(31)13(53)6-46)77-42(40(66)67)1-9(49)17(54)28(79-42)11(51)4-44/h9-38,43-63,68H,1-8H2,(H,64,65)(H,66,67)/t9-,10+,11-,12+,13-,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-,41-,42-/m1/s1
InChIKeyGRIFTJCDJYKNJU-YKBBZLOESA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo (CHEBI:167203) is a hexasaccharide (CHEBI:35368)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[β-D-galactopyranosyl-(1→3)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[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→3)-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-KdoChEBI
α-Kdo-(2→4)-[β-D-Galp-(1→3)-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)]-α-KdoIUPAC
Galβ1-3Hepα1-3(Glcβ1-4)Hepα1-5(Kdoα2-4)KdoαChEBI
Citations