alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)]-beta-D-GalpO[CH2]2NH2 (CHEBI:149614)

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CHEBI:149614 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂

ChEBI ID	CHEBI:149614
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)]-beta-D-GalpO[CH2]2NH2
Definition	A decasaccharide derivative consisting of two N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactose units connected via a β-(1→4) linkage from the galactose of one unit to the glucose of the other, with a 2-aminoethyl group linked glycosidically to the galactose residue at the reducing end.
Last Modified	29 April 2020
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C76H127N5O57
Net Charge	0
Average Mass	2022.830
Monoisotopic Mass	2021.71928
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=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[C@@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O9)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@@H](O)[C@H](OCCN)O[C@@H]6CO)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]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C76H127N5O57/c1-19(92)78-35-23(96)7-75(73(115)116,135-59(35)39(100)25(98)9-82)137-61-42(103)28(12-85)121-70(50(61)111)128-54-30(14-87)123-65(37(44(54)105)80-21(3)94)133-63-52(113)67(119-6-5-77)125-33(17-90)57(63)132-69-49(110)47(108)56(32(16-89)126-69)130-72-53(114)64(58(34(18-91)127-72)131-68-48(109)46(107)41(102)27(11-84)120-68)134-66-38(81-22(4)95)45(106)55(31(15-88)124-66)129-71-51(112)62(43(104)29(13-86)122-71)138-76(74(117)118)8-24(97)36(79-20(2)93)60(136-76)40(101)26(99)10-83/h23-72,82-91,96-114H,5-18,77H2,1-4H3,(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,115,116)(H,117,118)/t23-,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-,58-,59+,60+,61-,62-,63+,64+,65-,66-,67+,68-,69-,70-,71-,72-,75-,76-/m0/s1
InChIKey	MWEDCZRMXSCBAJ-XGFAVESCSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂ (CHEBI:149614) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:149615)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂ (CHEBI:149614) is a decasaccharide derivative (CHEBI:68692)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂ (CHEBI:149614) is a glycoside (CHEBI:24400)

IUPAC Name
2-aminoethyl 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)-[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-glucopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-β-D-galactopyranoside

IUPAC Name

2-aminoethyl 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)-[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-glucopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-β-D-galactopyranoside

Synonyms	Source
2-aminoethyl N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-β-D-galactoside	ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Glc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1→4)]-β-D-GalO[CH₂]₂NH₂	ChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-3[Neu5Acα2-3Galβ1-4GlcNAcβ1-3(Glcβ1-4)Galβ1-4Glcβ1-4]GalβO[CH₂]₂NH₂	ChEBI

Citations

CHEBI:149614 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2

CHEBI:149614 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp-(1→4)]-β-D-GalpO[CH₂]₂NH₂