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CHEBI:145939 - methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate(1−)

ChEBI IDCHEBI:145939
ChEBI Namemethyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate(1−)
Stars
ASCII Namemethyl 8-{[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl]oxy}nonanoate(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H59N2O21
Net Charge-1
Average Mass843.850
Monoisotopic Mass843.36158
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](NC(C)=O)[C@H](OCCCCCCCCC(=O)OC)O[C@@H]3CO)[C@@H]2O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C35H60N2O21/c1-16(41)36-23-18(43)12-35(34(50)51,57-30(23)25(46)19(44)13-38)58-31-26(47)20(14-39)54-33(28(31)49)56-29-21(15-40)55-32(24(27(29)48)37-17(2)42)53-11-9-7-5-4-6-8-10-22(45)52-3/h18-21,23-33,38-40,43-44,46-49H,4-15H2,1-3H3,(H,36,41)(H,37,42)(H,50,51)/p-1/t18-,19+,20+,21+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1
InChIKeyUFGHTQQNLWEXOD-SAPHIERISA-M
ChEBI Ontology
Outgoing Relation(s)
methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate(1−) (CHEBI:145939) is a glucosamine oligosaccharide (CHEBI:22485)
methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate(1−) (CHEBI:145939) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoateUniProt
Citations