CHEBI:77193 - α-L-Fucp-(1→3)-[β-D-Galp4Cl-(1→4)]-β-D-GlcpNAc-OMe

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-L-Fucp-(1→3)-[β-D-Galp4Cl-(1→4)]-β-D-GlcpNAc-OMe
ChEBI ID CHEBI:77193
ChEBI ASCII Name alpha-L-Fucp-(1->3)-[beta-D-Galp4Cl-(1->4)]-beta-D-GlcpNAc-OMe
Definition A 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 chlorine and the hydroxy group at the reducing-end anomeric centre is methylated.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H36ClNO14
Net Charge 0
Average Mass 561.96200
Monoisotopic Mass 561.18243
InChI InChI=1S/C21H36ClNO14/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
InChIKey HTGFVLHXIHYVMP-ZVLVVNEPSA-N
SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](Cl)[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
ChEBI Ontology
Outgoing α-L-Fucp-(1→3)-[β-D-Galp4Cl-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77193) 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-Galp4Cl-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77193) is a methyl glycoside (CHEBI:25302)
α-L-Fucp-(1→3)-[β-D-Galp4Cl-(1→4)]-β-D-GlcpNAc-OMe (CHEBI:77193) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name
methyl 4-chloro-4-deoxy-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms Sources
4''-deoxychloro LexOMe ChEBI
α-L-Fuc-(1→3)-[β-D-Gal4Cl-(1→4)]-β-D-GlcNAc-OMe ChEBI
methyl 4-chloro-4-deoxy-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside IUPAC
methyl 4-chloro-4-deoxy-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminide ChEBI
Registry Number Type Source
22800897 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23019441 PubMed citation Europe PMC
24059473 PubMed citation Europe PMC
31666308 PubMed citation Europe PMC
Last Modified
23 December 2019