CHEBI:145580 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp

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ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp ChEBI ID CHEBI:145580 ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Galp Definition A member of the class of neuraminic acids that is neuraminic acid attached in sequence to β-D-galactopyranosyl, 2-acetamido-2-deoxy-β-D-galactopyranosyl, β-D-galactopyranosyl, and β-D-gucoopyranose units by (2→3), (1→3), (1→4), and (1→4) glycosidic linkages, respectively. It corresponds to the carbohydrate portion of ganglioside GM1b. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gareth Owen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C37H62N2O29 Net Charge 0 Average Mass 998.888 Monoisotopic Mass 998.34382 InChI InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-21(51)14(6-42)62-35(26(31)56)66-29-18(39-10(2)46)33(61-13(5-41)20(29)50)64-28-16(8-44)63-34(25(55)23(28)53)65-27-15(7-43)60-32(57)24(54)22(27)52/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,37-/m0/s1 InChIKey ARFQJPSHMFTBIY-BQBUPSDLSA-N SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)CO ChEBI Ontology Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp (CHEBI:145580) is a amino pentasaccharide (CHEBI:59268) α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp (CHEBI:145580) 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→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose Synonyms Sources (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid IUPAC NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)Gal(b1-4)b-Glc IUPAC WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c3-d1_d3-e2 SUBMITTER Manual Xrefs Databases G00125 KEGG GLYCAN G03277YI GlyTouCan G03277YI GlyGen View more database links Citation Type Source 33164488 PubMed citation Europe PMC Last Modified 04 February 2021