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CHEBI:59047 - methyl 8-{[α-L-fucopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}nonanoate

ChEBI IDCHEBI:59047
ChEBI Namemethyl 8-{[α-L-fucopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}nonanoate
Stars
ASCII Namemethyl 8-{[alpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}nonanoate
DefinitionAn amino tetrasaccharide that is the 9-(methoxycarbonyl)-1-nonyl derivative of the Lewis Y polysaccharide.
Last Modified4 February 2020
Submitterzjosephs
DownloadsMolfile
FormulaC36H63NO21
Net Charge0
Average Mass845.886
Monoisotopic Mass845.38926
SMILESCOC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C36H63NO21/c1-15-22(42)25(45)28(48)34(52-15)57-31-21(37-17(3)40)33(51-12-10-8-6-5-7-9-11-20(41)50-4)55-19(14-39)30(31)56-36-32(27(47)24(44)18(13-38)54-36)58-35-29(49)26(46)23(43)16(2)53-35/h15-16,18-19,21-36,38-39,42-49H,5-14H2,1-4H3,(H,37,40)/t15-,16-,18+,19+,21+,22+,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-/m0/s1
InChIKeyGYEHUDFSLYCYMM-VQIHNLMTSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 8-{[α-L-fucopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}nonanoate (CHEBI:59047) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
methyl 9-{[6-deoxy-α-L-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}nonanoate
Synonyms  Source
nonoate methyl ester Lewis YChEBI
nLeyChEBI
UniProt Name  Source
methyl 8-{[α-L-Fuc-(1→2)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc]oxy}nonanoateUniProt
Citations