EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167678 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc

ChEBI IDCHEBI:167678
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
DefinitionA branched amino heptasaccharide consisting of N-acetyl-α-D-galactosamine carrying two individual N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl tetrasaccharide units via (1→3) and (1→6) glycosidic linkages.
Last Modified15 March 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC58H95N5O42
Net Charge0
Average Mass1534.391
Monoisotopic Mass1533.54516
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C58H95N5O42/c1-15(68)59-29-20(73)6-57(55(89)90,104-48(29)34(77)22(75)8-64)94-13-27-36(79)41(84)43(86)53(99-27)101-45-24(10-66)97-51(31(39(45)82)61-17(3)70)93-12-26-38(81)47(33(50(88)96-26)63-19(5)72)103-52-32(62-18(4)71)40(83)46(25(11-67)98-52)102-54-44(87)42(85)37(80)28(100-54)14-95-58(56(91)92)7-21(74)30(60-16(2)69)49(105-58)35(78)23(76)9-65/h20-54,64-67,73-88H,6-14H2,1-5H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H,63,72)(H,89,90)(H,91,92)/t20-,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-,57+,58+/m0/s1
InChIKeyQCLKMZZFXWEFCW-JNNXUTDVSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:167678) is a amino heptasaccharide (CHEBI:70970)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:167678) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Neu5Aca2-6Galb1-4GlcNAcb1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3)GalNAcaChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-6(Neu5Acα2-6Galβ1-4GlcNAcβ1-3)GalNAcαIUPAC
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-N-acetyl-α-D-galactosamineChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-α-D-GalNAcChEBI
Citations