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CHEBI:142444 - β-D-GalNAc-(1→4)-β-D-GalNAc-(1→4)-β-D-GlcNAc6PEtn-(1→3)-β-D-Man-(1→4)-β-D-Glc-(1↔1')-Cer

ChEBI IDCHEBI:142444
ChEBI Nameβ-D-GalNAc-(1→4)-β-D-GalNAc-(1→4)-β-D-GlcNAc6PEtn-(1→3)-β-D-Man-(1→4)-β-D-Glc-(1↔1')-Cer
Stars
ASCII Namebeta-D-GalNAc-(1->4)-beta-D-GalNAc-(1->4)-beta-D-GlcNAc6PEtn-(1->3)-beta-D-Man-(1->4)-beta-D-Glc-(1<->1')-Cer
DefinitionA sialotriaosylceramide consisting of a linear pentasaccharide made up from two N-acetylneuraminyl residues, an N-acetyl-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-β-D-glucosaminyl residue, a mannosyl residue and a glucosyl residue at the reducing end attached to the ceramide portion via a β-linkage.
Last Modified19 October 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC57H101N5O31PR
Net Charge0
Average Mass (excl. R groups)1383.403
Monoisotopic Mass (excl. R groups)1382.62181
SMILES*C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](COP(=O)(O)OCCN)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Species of MetaboliteComponentSourceComments
Calliphora vicina (ncbitaxon:7373) - PubMed (7686134)
ChEBI Ontology
Outgoing Relation(s)
β-D-GalNAc-(1→4)-β-D-GalNAc-(1→4)-β-D-GlcNAc6PEtn-(1→3)-β-D-Man-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:142444) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name 
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-2-acetamido-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-mannopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
Nz5aChEBI
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-β-D-galactosaminyl-(1→4)-N-acetyl-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-β-D-glucosaminyl-(1→3)-β-D-mannosyl-(1→4)-β-D-glucosideChEBI
β-D-GalpNAc-(1→4)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc6PEtn-(1→3)-β-D-Manp-(1→4)-β-D-Glcp-(1↔1')-CerChEBI
GalNAcα4GalNAcβ(6'PEtn-)4GlcNAcβ3Manβ4Glcβ1CerChEBI
Citations