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CHEBI:142633 - α-KDN-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-{[8)-α-KDN-(2→]n→6}-D-GalpNAc (n = 1—9)

ChEBI IDCHEBI:142633
ChEBI Nameα-KDN-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-{[8)-α-KDN-(2→]n→6}-D-GalpNAc (n = 1—9)
Stars
ASCII Namealpha-KDN-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-{[8)-alpha-KDN-(2->]n->6}-D-GalpNAc (n = 1--9)
DefinitionA branched oligosacharide consisting of a tetrasaccharide chain of deamino-α-neuraminyl (KDN), β-D-galactosyl, N-acetyl-α-D-galactosaminyl and N-acetyl-D-galactosamine residues linked sequentially (2→3), (1→3) and (1→3), to the reducing-end N-acetyl-D-galactosamine residue of which is also linked (2→6) a single KDN or a (2→8)-linked chain of KDN residues, the number of KDN residues in the chain ranging between 1 and 9, with an average of 3. The diagram shows the structure with 3 KDN residues in the side-chain.
Last Modified22 November 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC58H94N2O48
Net Charge0
Average Mass1587.356
Monoisotopic Mass1586.49760
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@@H](O)[C@@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](O)[C@]([H])([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)C[C@H](O)[C@@H](O)[C@]([H])([C@H](O)[C@@H](CO)O[C@]7(C(=O)O)C[C@H](O)[C@@H](O)[C@]([H])([C@H](O)[C@H](O)CO)O7)O6)O5)OC(O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1O
WURCSWURCS=2.0/4,7,6/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6]/1-2-3-4-4-4-4/a3-b1_a6-e2_b3-c1_c3-d2_e8-f2_f8-g2
InChIInChI=1S/C58H94N2O48/c1-14(67)59-27-41(100-49-28(60-15(2)68)42(35(81)22(9-63)98-49)101-50-40(86)47(36(82)23(10-64)99-50)108-58(54(94)95)6-19(72)30(76)44(106-58)34(80)21(74)8-62)39(85)26(97-48(27)87)13-96-55(51(88)89)3-16(69)31(77)45(104-55)37(83)24(11-65)103-57(53(92)93)5-18(71)32(78)46(107-57)38(84)25(12-66)102-56(52(90)91)4-17(70)29(75)43(105-56)33(79)20(73)7-61/h16-50,61-66,69-87H,3-13H2,1-2H3,(H,59,67)(H,60,68)(H,88,89)(H,90,91)(H,92,93)(H,94,95)/t16-,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-,55+,56+,57+,58-/m0/s1
InChIKeyRHAUXUFETBUSMM-FWLLRMPSSA-N
ChEBI Ontology
Outgoing Relation(s)
α-KDN-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-{[8)-α-KDN-(2→]n→6}-D-GalpNAc (n = 1—9) (CHEBI:142633) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
α-KDN-(2→3)-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-{[8)-α-KDN-(2→]n→6}-α-D-Gal (n = 1—9)ChEBI
deaminyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→3)-{[8)-deaminyl-α-neuraminyl-(2→]n→6}-α-D-galactose (n = 1—9)ChEBI
3-deoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-{[8)-3-deoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→]n→6}-2-acetamido-2-deoxy-D-galactopyranose (n = 1—9)ChEBI
Citations