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CHEBI:138018 - lactogangliotetraosylceramide

ChEBI IDCHEBI:138018
ChEBI Namelactogangliotetraosylceramide
Stars
DefinitionA glycotetraosylceramide Having N-acetyl-β-D-galactosaminyl-(1→3)-[N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)]-β-D-glucosyl as the glycotetraosyl component and which is acylated on the amino group by a tetracosanoyl group. A leukaemia-associated antigen with an unusual branching structure.
Last Modified28 July 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC70H129N3O23
Net Charge0
Average Mass1380.800
Monoisotopic Mass1379.90169
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](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]3NC(C)=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]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C70H129N3O23/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(81)73-48(49(80)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-89-69-63(88)66(96-68-56(72-47(4)79)60(85)58(83)51(42-75)91-68)65(53(44-77)92-69)95-70-62(87)61(86)64(52(43-76)93-70)94-67-55(71-46(3)78)59(84)57(82)50(41-74)90-67/h37,39,48-53,55-70,74-77,80,82-88H,5-36,38,40-45H2,1-4H3,(H,71,78)(H,72,79)(H,73,81)/b39-37+/t48-,49+,50+,51+,52+,53+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-,69+,70-/m0/s1
InChIKeyFGIWFDOOHZAKDV-HLDZVPRBSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
lactogangliotetraosylceramide (CHEBI:138018) has functional parent tetracosanoic acid (CHEBI:28866)
lactogangliotetraosylceramide (CHEBI:138018) has role antigen (CHEBI:59132)
lactogangliotetraosylceramide (CHEBI:138018) is a glycotetraosylceramide (CHEBI:23075)
IUPAC Name 
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)]-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
Synonyms  Source
LcGg4ChemIDplus
N-acetyl-β-D-galactosaminyl-(1→3)-[N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)]-β-D-glucosyl-N-tetracosanoylceramideChEBI
β-D-GalNAc-(1→3)-[β-D-GalNAc-(1→4)-β-D-Gal-(1→4)]-β-D-Glc-(1↔1')-Cer(d18:1/24:0)ChEBI
Registry NumbersSources
CAS:107221-01-2ChemIDplus
Citations