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CHEBI:145595 - β-D-Galp-(1→3)-β-D-Galp-(1→4)-[α-NeuGc-(2→3)]-β-D-Galp(1→4)-β-D-Glcp

Default Structure
ChEBI IDCHEBI:145595
ChEBI Nameβ-D-Galp-(1→3)-β-D-Galp-(1→4)-[α-NeuGc-(2→3)]-β-D-Galp(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-Galp-(1->3)-beta-D-Galp-(1->4)-[alpha-NeuGc-(2->3)]-beta-D-Galp(1->4)-beta-D-Glcp
DefinitionA member of the class of neraminic acids that is β-D-Galp-(1→3)-2-acetamido-2-deoxy-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp in which position 3 of the Galp residue is attached to position 2 of the N-glycolylneuraminic acid.
Last Modified14 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H62N2O30
Net Charge0
Average Mass1014.887
Monoisotopic Mass1014.33874
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2/a4-b1_b3-c2_b4-d1_d3-e1
InChIInChI=1S/C37H62N2O30/c1-9(46)38-18-29(67-34-25(56)22(53)20(51)12(4-41)63-34)21(52)13(5-42)62-33(18)66-28-15(7-44)64-35(65-27-14(6-43)61-32(58)24(55)23(27)54)26(57)31(28)69-37(36(59)60)2-10(47)17(39-16(49)8-45)30(68-37)19(50)11(48)3-40/h10-15,17-35,40-45,47-48,50-58H,2-8H2,1H3,(H,38,46)(H,39,49)(H,59,60)/t10-,11+,12+,13+,14+,15+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1
InChIKeyFQNVACIMIWPXTM-FGNDZQSKSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-β-D-Galp-(1→4)-[α-NeuGc-(2→3)]-β-D-Galp(1→4)-β-D-Glcp (CHEBI:145595) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
3,5-dideoxy-5-(glycoloylamino)-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  Source
(2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidIUPAC
Gal(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-4)b-GlcIUPAC
GM1-NeuGcKEGG GLYCAN
Manual XrefsDatabases
G00376KEGG GLYCAN
G24034CHGlyTouCan
G24034CHGlyGen