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CHEBI:190508 - CF3-C182L

ChEBI IDCHEBI:190508
ChEBI NameCF3-C182L
Stars
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C182L (CHEBI:190504) bound to a β-D-GlcNAc-(1→4)-[α-L-Fuc-(1→6)]-D-GlcNAc oligosaccharide via a β-linkage.
Last Modified29 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC64H121N3O16
Net Charge0
Average Mass1188.677
Monoisotopic Mass1187.87468
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](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C64H121N3O16/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-52(71)67-49(41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2)44-78-62-54(66-48(5)70)58(75)61(51(82-62)45-79-64-60(77)59(76)55(72)46(3)80-64)83-63-53(65-47(4)69)57(74)56(73)50(43-68)81-63/h46,49-51,53-64,68,72-77H,6-45H2,1-5H3,(H,65,69)(H,66,70)(H,67,71)/t46-,49-,50+,51+,53+,54+,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+/m0/s1
InChIKeyPOPXBYQOCBBQKJ-QALCGFQBSA-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)
CF3-C182L (CHEBI:190508) has functional parent N-(1-hydroxyoctadecan-2-yl)tetracosanamide (CHEBI:190504)
CF3-C182L (CHEBI:190508) has role epitope (CHEBI:53000)
CF3-C182L (CHEBI:190508) is a artificial glycosphingolipid (CHEBI:190304)
IUPAC Name 
N-[(2S)-1-{[α-L-fucopyranosyl-(1→6)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}octadecan-2-yl]tetracosanamide
Synonyms  Source
(2S)-2-(tetracosanoylamino)octadecyl N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→6)]-N-acetyl-β-D-glucosaminideChEBI
GlcNAcβ1-4(Fucα1-6)GlcNAcβ-C182LChEBI
N-[(2S)-1-{[6-deoxy-α-L-galactopyranosyl-(1→6)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}octadecan-2-yl]tetracosanamideIUPAC
Citations