beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp (CHEBI:145620)

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CHEBI:145620 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp

ChEBI ID	CHEBI:145620
ChEBI Name	β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Name	beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp
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-glucopyranosyl, β-D-galactopyranosyl, and β-D-glucopyranosyl, residues by (2→3), (1→3), (1→3) and (1→4) glycosidic linkages. The galactosyl residue attached to the neuraminic acid is glycosylated at position 4 by a β-D-acetamidogalactosyl residue, while the other galactosiyl residue has been glycosylated at position 4 by a β-D-galactopyranosyl-(1→3)-2-acetamido-β-D-galactopyranosyl residue.
Last Modified	14 January 2020
Submitter	Gareth Owen
Downloads	Molfile

Formula	C59H98N4O44
Net Charge	0
Average Mass	1567.417
Monoisotopic Mass	1566.55539
SMILES	CC(=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(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O
WURCS	WURCS=2.0/5,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-4-5-5-2/a4-b1_b3-c1_b4-g1_c3-d1_d3-e2_d4-f1_g3-h1
InChI	InChI=1S/C59H98N4O44/c1-14(72)60-27-18(76)5-59(58(91)92,106-48(27)31(78)19(77)6-64)107-50-42(89)57(99-26(13-71)45(50)102-52-28(61-15(2)73)36(83)32(79)20(7-65)94-52)104-47-30(63-17(4)75)54(96-23(10-68)35(47)82)105-49-41(88)56(100-43-24(11-69)93-51(90)39(86)38(43)85)98-25(12-70)44(49)101-53-29(62-16(3)74)46(34(81)22(9-67)95-53)103-55-40(87)37(84)33(80)21(8-66)97-55/h18-57,64-71,76-90H,5-13H2,1-4H3,(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,91,92)/t18-,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+,50+,51+,52-,53-,54-,55-,56-,57-,59-/m0/s1
InChIKey	BDZDFAOOBQQKAK-XFBPEEPYSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145620) has functional parent β-D-GalpNAc-(1→4)-[β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145625)
	β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145620) is a neuraminic acids (CHEBI:25508)
	β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145620) is a octasaccharide derivative (CHEBI:71061)

IUPAC Name
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[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-glucopyranosyl-(1→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)-5-acetamido-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-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-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid	IUPAC
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-3)GlcNAc(b1-3)[Gal(b1-3)GalNAc(b1-4)]Gal(b1-4)b-Glc	IUPAC

Synonyms

Source

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-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-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

IUPAC

NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-3)GlcNAc(b1-3)[Gal(b1-3)GalNAc(b1-4)]Gal(b1-4)b-Glc

IUPAC

Manual Xrefs	Databases
G54511PJ	GlyTouCan
G04305	KEGG GLYCAN
G54511PJ	GlyGen