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CHEBI:190306 - sLex-C12L

ChEBI IDCHEBI:190306
ChEBI NamesLex-C12L
Stars
ASCII NamesLe(x)-C12L
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C12L (CHEBI:190285) bound to a sialyl Lewisx [α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-D-GlcNAc] oligosaccharide via a β-linkage.
Last Modified21 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC67H123N3O24
Net Charge0
Average Mass1354.718
Monoisotopic Mass1353.84965
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](OC[C@H](CCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C67H123N3O24/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-50(78)70-45(35-33-31-29-15-13-11-9-7-2)41-87-63-52(69-44(5)75)61(92-64-57(83)56(82)53(79)42(3)88-64)59(49(40-73)90-63)91-65-58(84)62(55(81)48(39-72)89-65)94-67(66(85)86)37-46(76)51(68-43(4)74)60(93-67)54(80)47(77)38-71/h42,45-49,51-65,71-73,76-77,79-84H,6-41H2,1-5H3,(H,68,74)(H,69,75)(H,70,78)(H,85,86)/t42-,45-,46-,47+,48+,49+,51+,52+,53+,54+,55-,56+,57-,58+,59+,60+,61+,62-,63+,64-,65-,67-/m0/s1
InChIKeyKLQDJWXIRVBXHN-DWSNLIQXSA-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)
sLex-C12L (CHEBI:190306) has functional parent N-(1-hydroxydodecan-2-yl)tetracosanamide (CHEBI:190285)
sLex-C12L (CHEBI:190306) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:71622)
sLex-C12L (CHEBI:190306) has role epitope (CHEBI:53000)
sLex-C12L (CHEBI:190306) is a artificial glycosphingolipid (CHEBI:190304)
IUPAC Name 
(2S)-2-(tetracosanoylamino)dodecyl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
(2S)-2-(tetracosanoylamino)dodecyl α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminideChEBI
Neu5Acα2,3Galβ1,4(Fucα1,3)GlcNAcβ-C12LChEBI
Citations