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CHEBI:190305 - 6'-sialyl LacNAc-C12L

ChEBI IDCHEBI:190305
ChEBI Name6'-sialyl LacNAc-C12L
Stars
DefinitionAn artificial glycosphingolipid composed of the ceramide mimetic C12L (CHEBI:190285) bound to a 6'-sialyl LacNAc [α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-D-GlcNAc] oligosaccharide via a β-linkage.
Last Modified21 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC61H113N3O20
Net Charge0
Average Mass1208.576
Monoisotopic Mass1207.79174
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H](CCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C61H113N3O20/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-48(71)64-43(34-32-30-28-14-12-10-8-6-2)39-79-58-50(63-42(4)68)53(74)56(46(38-66)81-58)83-59-55(76)54(75)52(73)47(82-59)40-80-61(60(77)78)36-44(69)49(62-41(3)67)57(84-61)51(72)45(70)37-65/h43-47,49-59,65-66,69-70,72-76H,5-40H2,1-4H3,(H,62,67)(H,63,68)(H,64,71)(H,77,78)/t43-,44-,45+,46+,47+,49+,50+,51+,52-,53+,54-,55+,56+,57+,58+,59-,61+/m0/s1
InChIKeyCTSJKIQJGIJABN-NPGDTNQRSA-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)
6'-sialyl LacNAc-C12L (CHEBI:190305) has functional parent N-(1-hydroxydodecan-2-yl)tetracosanamide (CHEBI:190285)
6'-sialyl LacNAc-C12L (CHEBI:190305) has functional parent N-acetyllactosamine (CHEBI:16153)
6'-sialyl LacNAc-C12L (CHEBI:190305) has role epitope (CHEBI:53000)
6'-sialyl LacNAc-C12L (CHEBI:190305) 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→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
(2S)-2-(tetracosanoylamino)dodecyl α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminideChEBI
Neu5Acα2,6Galβ1,4GlcNAcβ-C12LChEBI
Citations