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-Galp (CHEBI:149615)

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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-Galp

ChEBI ID	CHEBI:149615
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-Galp
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-Galp
Definition	A ten-membered branched glucosamine oligosaccharide 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.
Last Modified	29 April 2020
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C74H122N4O57
Net Charge	0
Average Mass	1979.761
Monoisotopic Mass	1978.67708
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)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[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/C74H122N4O57/c1-17(89)75-33-21(93)5-73(71(113)114,132-57(33)37(97)23(95)7-79)134-59-40(100)26(10-82)119-68(49(59)109)125-52-28(12-84)121-64(35(42(52)102)77-19(3)91)130-61-48(108)63(112)117-31(15-87)55(61)128-67-47(107)45(105)54(30(14-86)123-67)127-70-51(111)62(56(32(16-88)124-70)129-66-46(106)44(104)39(99)25(9-81)118-66)131-65-36(78-20(4)92)43(103)53(29(13-85)122-65)126-69-50(110)60(41(101)27(11-83)120-69)135-74(72(115)116)6-22(94)34(76-18(2)90)58(133-74)38(98)24(96)8-80/h21-70,79-88,93-112H,5-16H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)(H,113,114)(H,115,116)/t21-,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+,58+,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1
InChIKey	BCCONKUTYXSYST-YRJMTYBRSA-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-Galp (CHEBI:149615) is a amino decasaccharide (CHEBI:68691)
	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) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming 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)

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)-[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-galactopyranose

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)-[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-galactopyranose

Synonyms	Source
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-Gal	ChEBI
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-galactose	ChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-3[Neu5Acα2-3Galβ1-4GlcNAcβ1-3(Glcβ1-4)Galβ1-4Glcβ1-4]Galβ	ChEBI

Citations