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CHEBI:78486 - N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine

ChEBI IDCHEBI:78486
ChEBI NameN-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine
Stars
ASCII NameN-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-stearoylsphingosine
DefinitionAn N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide in which the ceramide N-acyl group is specified as stearoyl.
Last Modified18 October 2023
Submitternhn
DownloadsMolfile
FormulaC56H104N2O18
Net Charge0
Average Mass1093.444
Monoisotopic Mass1092.72841
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]1O)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1
InChIKeyFOCMISOLVPZNSV-CYSIEEFGSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine (CHEBI:78486) is a N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (CHEBI:27731)
IUPAC Name 
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
Synonyms  Source
asialo-GM2 gangliosideSUBMITTER
Ganglioside GA2 (d18:1/18:0)HMDB
UniProt Name  Source
ganglioside GA2 (d18:1(4E)/18:0)UniProt
Manual XrefsDatabases
HMDB0004891HMDB
Citations