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CHEBI:145770 - α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0)

ChEBI IDCHEBI:145770
ChEBI Nameα-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0)
Stars
ASCII Namealpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0)
DefinitionA sialotetraosylceramide consisting of a linear pentasaccharide made up from one lactamized sialyl residue, two galactose residues, 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.
Last Modified8 January 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC71H127N3O32S
Net Charge0
Average Mass1566.853
Monoisotopic Mass1565.81234
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](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)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
InChIInChI=1S/C71H127N3O32S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-50(83)73-42(43(80)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)39-96-67-58(89)57(88)61(48(38-78)100-67)102-68-59(90)64(54(85)46(36-76)98-68)104-66-52(72-41(3)79)56(87)62(49(101-66)40-97-107(93,94)95)103-69-60(91)65(55(86)47(37-77)99-69)106-71-34-44(81)51(74-70(71)92)63(105-71)53(84)45(82)35-75/h30,32,42-49,51-69,75-78,80-82,84-91H,4-29,31,33-40H2,1-3H3,(H,72,79)(H,73,83)(H,74,92)(H,93,94,95)/b32-30+/t42-,43+,44-,45+,46+,47+,48+,49+,51+,52+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67+,68-,69-,71-/m0/s1
InChIKeyAXOABXHLUPMSGV-RDHVHDFJSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:145770) has part δ-lactam ring (CHEBI:52910)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:145770) is a oligosaccharide sulfate (CHEBI:37909)
α-Neu5d5N;1,5-lactam-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:145770) is a sialotetraosylceramide (CHEBI:36543)
IUPAC Name 
N-[(2S,3R,4E)-3-hydroxy-1-{[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-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}octadec-4-en-2-yl]octadecanamide
Synonyms  Source
N-[(1S,2R,3E)-2-hydroxy-1-[[[O-3-O-[(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]oct-1-yl]-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-3-heptadecen-1-yl]octadecanamideChEBI
α-Neup5d5N;1,5-lactam-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(d18:1/18:0)IUPAC
N-[(2S,3R,4E)-3-hydroxy-1-{[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-sulfo-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl]oxy}octadec-4-en-2-yl]octadecanamideChEBI
Citations