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CHEBI:190492 - C3-C12L

ChEBI IDCHEBI:190492
ChEBI NameC3-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)-D-GlcNAc oligosaccharide via a β-linkage.
Last Modified29 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC58H109N3O17
Net Charge0
Average Mass1120.514
Monoisotopic Mass1119.77570
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]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/C58H109N3O17/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-46(67)61-42(34-32-30-28-14-12-10-8-6-2)39-73-56-47(59-40(3)65)50(69)54(44(37-63)75-56)77-57-48(60-41(4)66)51(70)55(45(38-64)76-57)78-58-53(72)52(71)49(68)43(36-62)74-58/h42-45,47-58,62-64,68-72H,5-39H2,1-4H3,(H,59,65)(H,60,66)(H,61,67)/t42-,43+,44+,45+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57-,58-/m0/s1
InChIKeyJEYGJSNSFIDAPD-UQBPNEQJSA-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)
C3-C12L (CHEBI:190492) has functional parent N-(1-hydroxydodecan-2-yl)tetracosanamide (CHEBI:190285)
C3-C12L (CHEBI:190492) has functional parent β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147939)
C3-C12L (CHEBI:190492) has role epitope (CHEBI:53000)
C3-C12L (CHEBI:190492) is a artificial glycosphingolipid (CHEBI:190304)
IUPAC Name 
N-[(2S)-1-{[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-{[β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl]oxy}dodecan-2-yl]tetracosanamideChEBI
Manβ1-4GlcNAcβ1-4GlcNAcβ-C12LChEBI
(2S)-2-(tetracosanoylamino)dodecyl β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosaminideChEBI
Citations