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CHEBI:190493 - CF4-C12L

ChEBI IDCHEBI:190493
ChEBI NameCF4-C12L
Stars
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C12L (CHEBI:190285) 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
FormulaC64H119N3O21
Net Charge0
Average Mass1266.656
Monoisotopic Mass1265.83361
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCC)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/C64H119N3O21/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-48(72)67-44(35-33-31-29-15-13-11-9-7-2)39-81-61-49(65-42(4)70)53(75)60(47(86-61)40-82-63-57(79)55(77)51(73)41(3)83-63)87-62-50(66-43(5)71)54(76)59(46(38-69)85-62)88-64-58(80)56(78)52(74)45(37-68)84-64/h41,44-47,49-64,68-69,73-80H,6-40H2,1-5H3,(H,65,70)(H,66,71)(H,67,72)/t41-,44-,45+,46+,47+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62-,63+,64-/m0/s1
InChIKeyDEEKSDWBNFEPCQ-YPPQYPAYSA-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-C12L (CHEBI:190493) has functional parent N-(1-hydroxydodecan-2-yl)tetracosanamide (CHEBI:190285)
CF4-C12L (CHEBI:190493) has functional parent α-L-Fucp-(1→6)-[β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-β-D-GlcNAc (CHEBI:190510)
CF4-C12L (CHEBI:190493) has role epitope (CHEBI:53000)
CF4-C12L (CHEBI:190493) 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}dodecan-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}dodecan-2-yl]tetracosanamideIUPAC
(2S)-2-(tetracosanoylamino)dodecyl 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-C12LChEBI
N-[(2S)-1-{[β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl]oxy}dodecan-2-yl]tetracosanamideChEBI
Citations