CHEBI:167378 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-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 ID CHEBI:167378
ChEBI ASCII Name beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-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
Definition A branched amino nonasaccharide consisting of a linear hexasaccharide comprising β-D-galactose, N-acetyl-β-D-galactosamine, 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→4), (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 galactose residue proximal to the reducing end also carries an N-acetyl-α-neuraminic acid residue via a (2→3) linkage and 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C67H110N2O55
Net Charge 0
Average Mass 1823.576
Monoisotopic Mass 1822.58721
InChI InChI=1S/C67H110N2O55/c1-15(79)68-29-17(81)3-67(64(105)106,123-51(29)32(89)19(83)6-70)124-54-43(100)59(111-28(14-78)49(54)114-56-30(69-16(2)80)50(35(92)27(13-77)108-56)116-57-38(95)36(93)33(90)25(11-75)109-57)117-52-40(97)44(20(84)7-71)112-60(41(52)98)118-53-42(99)61(113-46(22(86)9-73)55(53)119-58-39(96)37(94)34(91)26(12-76)110-58)115-48-24(5-65(107,62(101)102)121-47(48)23(87)10-74)120-66(63(103)104)4-18(82)31(88)45(122-66)21(85)8-72/h17-61,70-78,81-100,107H,3-14H2,1-2H3,(H,68,79)(H,69,80)(H,101,102)(H,103,104)(H,105,106)/t17-,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+,55+,56-,57-,58-,59-,60+,61+,65+,66+,67-/m0/s1
InChIKey YYFPWIIRHLTZSS-XWKDHQIMSA-N
SMILES [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@@]3(C[C@@H](O)[C@@H](O)[C@]([H])(O3)[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[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]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)[C@@H](O)CO
ChEBI Ontology
Outgoing β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-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:167378) is a amino nonasaccharide (CHEBI:68818)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→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-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms Sources
α-Kdo-(2→4)-{β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)}-α-Kdo ChEBI
β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-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-Kdo ChEBI
Galβ1-3GalNAcβ1-4(Neu5Acα2-3)Galβ1-3Hepα1-3(Glcβ1-4)Hepα1-5(Kdoα2-4)Kdoα ChEBI
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Last Modified
27 January 2021