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↔1ʼ)-Cer(d18:1/24:0)

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ChEBI Name β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1ʼ)-Cer(d18:1/24:0) ChEBI ID CHEBI:141796 ChEBI ASCII Name beta-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) Definition 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↔1ʼ)-Cer in which the acyl and alkyl chains are respectively tetracosanoyl and 3-hydroxyoctadec-4-en-1-yl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C74H136N2O31S Net Charge 0 Average Mass 1581.950 Monoisotopic Mass 1580.88478 InChI InChI=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 InChIKey UDEFKHUEWIDZQT-KTWWMDKISA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=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]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)[C@H](O)\C=C\CCCCCCCCCCCCC ChEBI Ontology Outgoing β-D-Gal3S-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1ʼ)-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↔1ʼ)-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 Sources 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↔1ʼ)-ceramide(d18:1/24:0) sulfate ChEBI β-D-Galp3S-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1ʼ)-Cer(d18:1/24:0) IUPAC Citation Type Source 2777788 PubMed citation Europe PMC Last Modified 27 February 2024