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CHEBI:145774 - α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32}

ChEBI IDCHEBI:145774
ChEBI Nameα-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-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)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6SO3Na-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-O{[2-(C14H29)]C16H32}
DefinitionA neoglycolipid consisting of a branched hexasaccharide made up from one lactamized sialyl residue, two galactose residues, onr fucose residue, 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
FormulaC71H127N2O34S.Na
Net Charge0
Average Mass1607.834
Monoisotopic Mass1606.78886
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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/C71H128N2O34S.Na/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-40(30-28-26-24-22-20-18-16-14-12-10-8-6-2)36-95-66-56(88)54(86)59(45(35-77)100-66)102-68-57(89)63(51(83)43(33-75)98-68)105-65-48(72-39(4)78)62(104-67-55(87)53(85)49(81)38(3)97-67)60(46(101-65)37-96-108(92,93)94)103-69-58(90)64(52(84)44(34-76)99-69)107-71-31-41(79)47(73-70(71)91)61(106-71)50(82)42(80)32-74;/h38,40-69,74-77,79-90H,5-37H2,1-4H3,(H,72,78)(H,73,91)(H,92,93,94);/q;+1/p-1/t38-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53+,54+,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67-,68-,69-,71-;/m0./s1
InChIKeyRBEPTJYQDQHXCH-SXMSWGKMSA-M
ChEBI Ontology
Outgoing Relation(s)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145774) has part δ-lactam ring (CHEBI:52910)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145774) is a glycoside (CHEBI:24400)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145774) is a neoglycolipid (CHEBI:51019)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SO3Na-(1→3)-β-D-Gal-(1→4)-β-D-Glc-O{[2-(C14H29)]C16H32} (CHEBI:145774) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
sodium 2-tetradecylhexadecyl α-L-fucopyranosyl-(1→3)-[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 6-deoxy-α-L-galactopyranosyl-(1→3)-[(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 α-L-fucosyl-(1→3)--[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 sLexChEBI
lactamized-sialyl 6-O-sulfo sialyl Lewis XChEBI
sodium 2-tetradecylhexadecyl 6-deoxy-α-L-galactopyranosyl-(1→3)-[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-glucopyranosideIUPAC
α-L-Fuc-(1→3)-[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
Citations