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

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ChEBI Name methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate(1−)
ChEBI ID CHEBI:145939
ChEBI ASCII Name methyl 8-{[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl]oxy}nonanoate(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C35H59N2O21
Net Charge -1
Average Mass 843.851
Monoisotopic Mass 843.36158
InChI InChI=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
InChIKey UFGHTQQNLWEXOD-SAPHIERISA-M
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C([O-])=O)O)O)NC(=O)C)CCCCCCCCC(OC)=O
ChEBI Ontology
Outgoing 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)
Synonym Source
methyl 8-{[N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}nonanoate UniProt
Citation Waiting for Citations Type Source
7721776 PubMed citation SUBMITTER