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CHEBI:77196 - α-L-Fucp-(1→3)-[β-D-Galp4F-(1→4)]-β-D-GlcpNAc-OMe

ChEBI IDCHEBI:77196
ChEBI Nameα-L-Fucp-(1→3)-[β-D-Galp4F-(1→4)]-β-D-GlcpNAc-OMe
Stars
ASCII Namealpha-L-Fucp-(1->3)-[beta-D-Galp4F-(1->4)]-beta-D-GlcpNAc-OMe
DefinitionA methyl glycoside that is α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc (Lex) in which the galactose 4-OH is replaced by fluorine and the hydroxy group at the reducing-end anomeric centre is methylated.
Last Modified23 December 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H36FNO14
Net Charge0
Average Mass545.510
Monoisotopic Mass545.21198
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](F)[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/C21H36FNO14/c1-6-12(27)14(29)16(31)20(33-6)37-18-11(23-7(2)26)19(32-3)35-9(5-25)17(18)36-21-15(30)13(28)10(22)8(4-24)34-21/h6,8-21,24-25,27-31H,4-5H2,1-3H3,(H,23,26)/t6-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18+,19+,20-,21-/m0/s1
InChIKeyYWUXADJECGMFMP-ZVLVVNEPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-L-Fucp-(1→3)-[β-D-Galp4F-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77196) has functional parent α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:59294)
α-L-Fucp-(1→3)-[β-D-Galp4F-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77196) is a methyl glycoside (CHEBI:25302)
α-L-Fucp-(1→3)-[β-D-Galp4F-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77196) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
methyl 4-deoxy-4-fluoro-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
methyl 4-deoxy-4-fluoro-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosideIUPAC
4''-deoxyfluoro LexOMeChEBI
α-L-Fuc-(1→3)-[β-D-Gal4F-(1→4)]-β-D-GlcNAc-OMeChEBI
methyl 4-deoxy-4-fluoro-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminideChEBI
Registry NumbersSources
Reaxys:22800898Reaxys
Citations