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CHEBI:190507 - CF4-C182L

ChEBI IDCHEBI:190507
ChEBI NameCF4-C182L
Stars
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C182L (CHEBI:190504) bound to a β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-[α-L-Fuc-(1→6)]-D-GlcNAc oligosaccharide via a β-linkage.
Last Modified29 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC70H131N3O21
Net Charge0
Average Mass1350.818
Monoisotopic Mass1349.92751
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C70H131N3O21/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-54(78)73-50(41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2)45-87-67-55(71-48(4)76)59(81)66(53(92-67)46-88-69-63(85)61(83)57(79)47(3)89-69)93-68-56(72-49(5)77)60(82)65(52(44-75)91-68)94-70-64(86)62(84)58(80)51(43-74)90-70/h47,50-53,55-70,74-75,79-86H,6-46H2,1-5H3,(H,71,76)(H,72,77)(H,73,78)/t47-,50-,51+,52+,53+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+,67+,68-,69+,70-/m0/s1
InChIKeyHHICRGMNTICEDG-VOALHBPESA-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)
CF4-C182L (CHEBI:190507) has functional parent N-(1-hydroxyoctadecan-2-yl)tetracosanamide (CHEBI:190504)
CF4-C182L (CHEBI:190507) has functional parent α-L-Fucp-(1→6)-[β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-β-D-GlcNAc (CHEBI:190510)
CF4-C182L (CHEBI:190507) has role epitope (CHEBI:53000)
CF4-C182L (CHEBI:190507) is a artificial glycosphingolipid (CHEBI:190304)
IUPAC Name 
N-[(2S)-1-{[α-L-fucopyranosyl-(1→6)-[β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}octadecan-2-yl]tetracosanamide
Synonyms  Source
N-[(2S)-1-{[6-deoxy-α-L-galactopyranosyl-(1→6)-[β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}octadecan-2-yl]tetracosanamideIUPAC
(2S)-2-(tetracosanoylamino)octadecyl β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→6)]-N-acetyl-β-D-glucosaminideChEBI
Manβ1-4GlcNAcβ1-4(Fucα1-6)GlcNAcβ-C182LChEBI
Citations