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CHEBI:145579 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:145579
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionA member of the class of neuraminic acids that is neuraminic acid attached in sequence to β-D-galactopyranosyl, 2-acetamido-2-deoxy-β-D-glucopyranosyl, β-D-galactopyranosyl, 2-acetamido-2-deoxy-β-D-glucopyranosyl, β-D-galactopyranosyl, and β-D-glucopyranose units by (2→3), (1→4), (1→3), (1→4), 1→3), and (1→4) glycosidic linkages, respectively.
Last Modified14 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC51H85N3O39
Net Charge0
Average Mass1364.223
Monoisotopic Mass1363.47602
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C51H85N3O39/c1-12(62)52-23-15(65)4-51(50(79)80,92-40(23)26(67)16(66)5-55)93-43-29(70)19(8-58)84-49(36(43)77)88-38-22(11-61)86-46(25(31(38)72)54-14(3)64)90-41-27(68)17(6-56)82-47(34(41)75)87-37-21(10-60)85-45(24(30(37)71)53-13(2)63)91-42-28(69)18(7-57)83-48(35(42)76)89-39-20(9-59)81-44(78)33(74)32(39)73/h15-49,55-61,65-78H,4-11H2,1-3H3,(H,52,62)(H,53,63)(H,54,64)(H,79,80)/t15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,51-/m0/s1
InChIKeyLCBUWAPXQBFZFM-WWNXOEQQSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145579) is a amino heptasaccharide (CHEBI:70970)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145579) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidIUPAC
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-GlcIUPAC
Manual XrefsDatabases
G03067VGGlyTouCan
G00088KEGG GLYCAN
G03067VGGlyGen