alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]beta-D-GlcpNAc-(1->3)-beta-D-Galp (CHEBI:62380)

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CHEBI:62380 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]β-D-GlcpNAc-(1→3)-β-D-Galp

ChEBI ID	CHEBI:62380
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]beta-D-GlcpNAc-(1->3)-beta-D-Galp
Definition	A ten-membered branched glucosamine oligosaccharide consisting of two α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal units connected via a β-(1→4) linkage from the galactose to the glucose.
Last Modified	28 April 2020
Submitter	Steve
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)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO[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](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C74H122N4O57/c1-17(87)75-33-21(91)5-73(71(113)114,132-57(33)37(95)23(93)7-79)134-61-42(100)28(12-84)122-69(52(61)110)128-55-31(15-117-66-48(106)46(104)39(97)25(9-81)120-66)126-65(36(45(55)103)78-20(4)90)131-60-41(99)27(11-83)121-68(51(60)109)127-54-30(14-86)124-67(49(107)47(54)105)118-16-32-56(44(102)35(77-19(3)89)64(125-32)130-59-40(98)26(10-82)119-63(112)50(59)108)129-70-53(111)62(43(101)29(13-85)123-70)135-74(72(115)116)6-22(92)34(76-18(2)88)58(133-74)38(96)24(94)8-80/h21-70,79-86,91-112H,5-16H2,1-4H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)(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	VWXMZGUXDJUHMB-QKWKZYJGSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:62380) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-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)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose

Synonym	Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]β-D-GlcNAc-(1→3)-β-D-Gal	ChEBI

Citations