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CHEBI:78484 - β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine

ChEBI IDCHEBI:78484
ChEBI Nameβ-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-stearoylsphingosine
DefinitionA β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer in which the ceramide N-acyl group is specified as stearoyl.
Last Modified4 May 2021
Submitternhn
DownloadsMolfile
FormulaC62H114N2O23
Net Charge0
Average Mass1255.585
Monoisotopic Mass1254.78124
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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58+,59-,60+,61-,62-/m0/s1
InChIKeyVELGMVLNORPMAO-HMWOVMCASA-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)
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphingosine (CHEBI:78484) is a β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:27938)
IUPAC Name 
N-[(2S,3R,4E)-1-{[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]octadecanamide
Synonyms  Source
asialo-GM1a gangliosideSUBMITTER
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-stearoylsphing-4-enineChEBI
UniProt Name  Source
ganglioside GA1 (d18:1(4E)/18:0)UniProt
Citations