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CHEBI:190307 - Lex-C12L

ChEBI IDCHEBI:190307
ChEBI NameLex-C12L
Stars
ASCII NameLe(x)-C12L
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C12L (CHEBI:190285) bound to a Lewisx [β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-D-GlcNAc] oligosaccharide via a β-linkage.
Last Modified21 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC56H106N2O16
Net Charge0
Average Mass1063.462
Monoisotopic Mass1062.75424
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCC)CO[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](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C56H106N2O16/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-44(62)58-41(34-32-30-28-14-12-10-8-6-2)38-69-54-45(57-40(4)61)53(74-55-50(67)48(65)46(63)39(3)70-55)52(43(37-60)72-54)73-56-51(68)49(66)47(64)42(36-59)71-56/h39,41-43,45-56,59-60,63-68H,5-38H2,1-4H3,(H,57,61)(H,58,62)/t39-,41-,42+,43+,45+,46+,47-,48+,49-,50-,51+,52+,53+,54+,55-,56-/m0/s1
InChIKeyGUPYWPLMRODOQK-CZYZXODFSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
Lex-C12L (CHEBI:190307) has functional parent N-(1-hydroxydodecan-2-yl)tetracosanamide (CHEBI:190285)
Lex-C12L (CHEBI:190307) has functional parent α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:59294)
Lex-C12L (CHEBI:190307) has role epitope (CHEBI:53000)
Lex-C12L (CHEBI:190307) is a artificial glycosphingolipid (CHEBI:190304)
IUPAC Name 
N-[(2S)-1-{[6-deoxy-α-L-galactopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}dodecan-2-yl]tetracosanamide
Synonyms  Source
(2S)-2-(tetracosanoylamino)dodecyl α-L-fucosyl-(1→3)-[β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminideChEBI
Galβ1,4(Fucα1,3)GlcNAcβ-C12LChEBI
Fucα1,3(Galβ1,4)GlcNAcβ-C12LChEBI
Citations