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CHEBI:145771 - α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32}

ChEBI IDCHEBI:145771
ChEBI Nameα-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32}
Stars
ASCII Namealpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc6SO3Na-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-O{[2-(C14H29)]C16H32}
DefinitionA neoglycolipid consisting of a linear pentasaccharide made up from one lactamized sialyl residue, two galactose residues, one N-acetyl-6-sulfonatoglucosamine residue (with associated sodium cation) and one glucose residue, which at the reducing end is attached glycosidically to a 2-(tetradecyl)hexadecyl group.
Last Modified9 January 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC65H117N2O30S.Na
Net Charge0
Average Mass1461.692
Monoisotopic Mass1460.73096
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@]2(O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)O[C@@H]6CO)[C@@H]5O)O[C@@H]4COS(=O)(=O)[O-])[C@@H]3O)C[C@H](O)[C@H]1NC2=O.[Na+]
InChIInChI=1S/C65H118N2O30S.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-38(29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-87-61-52(80)51(79)55(43(34-71)91-61)93-62-53(81)58(48(76)41(32-69)89-62)95-60-46(66-37(3)72)50(78)56(44(92-60)36-88-98(84,85)86)94-63-54(82)59(49(77)42(33-70)90-63)97-65-30-39(73)45(67-64(65)83)57(96-65)47(75)40(74)31-68;/h38-63,68-71,73-82H,4-36H2,1-3H3,(H,66,72)(H,67,83)(H,84,85,86);/q;+1/p-1/t39-,40+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61+,62-,63-,65-;/m0./s1
InChIKeyIAIGACCZXDAEJP-HUHJAVTGSA-M
ChEBI Ontology
Outgoing Relation(s)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145771) has part δ-lactam ring (CHEBI:52910)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145771) is a glycoside (CHEBI:24400)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145771) is a neoglycolipid (CHEBI:51019)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145771) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
sodium 2-tetradecylhexadecyl 3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfonato-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
2-(tetradecyl)hexadecyl (5-amino-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosyl 1,5-lactam)-(2→3)-(β-D-galactopyranosyl)-( 1→4)-(2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl)-(1→3)-(β-D-galactopyranosyl)-(1→4)-β-D-glucopyranoside sodium saltChEBI
sodium 2-tetradecylhexadecyl 3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-β-D-galactosyl-(1→4)-N-acetyl-6-O-sulfonato-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosideChEBI
lactamized-sialyl 6-O-sulfo SPGChEBI
lactamized-sialyl 6-O-sulfo sialylparaglobosideChEBI
Citations