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CHEBI:141796 - β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:0)

ChEBI IDCHEBI:141796
ChEBI Nameβ-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:0)
Stars
ASCII Namebeta-D-Gal3S-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0)
DefinitionA β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer in which the acyl and alkyl chains are respectively tetracosanoyl and 3-hydroxyoctadec-4-en-1-yl.
Last Modified27 February 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC74H136N2O31S
Net Charge0
Average Mass1581.952
Monoisotopic Mass1580.88478
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]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C74H136N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-97-71-61(90)59(88)65(52(43-80)101-71)103-72-62(91)60(89)66(53(44-81)102-72)104-73-63(92)68(57(86)50(41-78)99-73)106-70-55(75-46(3)82)67(56(85)49(40-77)98-70)105-74-64(93)69(107-108(94,95)96)58(87)51(42-79)100-74/h36,38,47-53,55-74,77-81,83,85-93H,4-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)(H,94,95,96)/b38-36+/t47-,48+,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74-/m0/s1
InChIKeyUDEFKHUEWIDZQT-KTWWMDKISA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:0) (CHEBI:141796) is a β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:141795)
IUPAC Name 
N-[(2S,3R,4E)-3-hydroxy-1-{[3-O-sulfo-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-α-D-glucopyranosyl]oxy}octadec-4-en-2-yl]tetracosanamide
Synonyms  Source
β-D-Galp3S-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(d18:1/24:0)IUPAC
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d18:1/24:0) sulfateChEBI
Citations