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CHEBI:145754 - α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0)

ChEBI IDCHEBI:145754
ChEBI Nameα-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0)
Stars
ASCII Namealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0)
DefinitionA sialopentaosylceramide consisting of a branched hexasaccharide made up from one sialyl residue, two galactose residues, one L-fucose residue, one N-acetyl-6-sulfoglucosamine residue and one glucose residue, which at the reducing end is attached to a d18:1/18:0 ceramide moiety via a β-linkage; commonly known as sialyl 6-sulfo Lewis X.
Last Modified8 January 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC79H141N3O38S
Net Charge0
Average Mass1773.047
Monoisotopic Mass1771.89138
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]5CO)[C@@H]4O)O[C@@H]3COS(=O)(=O)O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C79H141N3O38S/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-54(92)82-46(47(89)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)41-108-74-64(100)62(98)67(52(40-86)113-74)115-76-65(101)71(59(95)50(38-84)111-76)118-73-56(81-45(5)88)70(117-75-63(99)61(97)57(93)43(3)110-75)68(53(114-73)42-109-121(105,106)107)116-77-66(102)72(60(96)51(39-85)112-77)120-79(78(103)104)36-48(90)55(80-44(4)87)69(119-79)58(94)49(91)37-83/h32,34,43,46-53,55-77,83-86,89-91,93-102H,6-31,33,35-42H2,1-5H3,(H,80,87)(H,81,88)(H,82,92)(H,103,104)(H,105,106,107)/b34-32+/t43-,46-,47+,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+,75-,76-,77-,79-/m0/s1
InChIKeyKDWPFEQVBKKOIB-HOHBTGFYSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:145754) is a oligosaccharide sulfate (CHEBI:37909)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:145754) is a sialopentaosylceramide (CHEBI:36542)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosideIUPAC
(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-enyl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→4)-[6-deoxy-α-L-galactosyl-(1→3)]-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucosyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosideChEBI
N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]octadecanamideChEBI
N-[(1S,2R,3E)-1-({[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}methyl)-2-hydroxy-3-heptadecen-1-yl]octadecanamideIUPAC
sialyl 6-sulfo Lewis XChEBI
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(d18:1/18:0)IUPAC
Citations