beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:71035)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71035 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI ID	CHEBI:71035
ChEBI Name	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	A branched amino decasaccharide comprised of a linear hexasaccharide chain of β-D-galactose, N-acetyl-β-D-glucosamine, α-D-mannose, β-D-mannose, and two N-acetyl-β-D-glucosamine residues linked sequentially (1→4), (1→2), (1→3), (1→4) and (1→4), to the β-D-mannose residue of which is (1→6)-linked an N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl side-chain.
Last Modified	20 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C73H121N5O54
Net Charge	0
Average Mass	1932.752
Monoisotopic Mass	1931.68759
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]4[C@@H](OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)[C@@H](O)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCS	WURCS=2.0/5,10,9/[a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-1-2-3-1-4-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h4-i1_i6-j2
InChI	InChI=1S/C73H121N5O54/c1-17(87)74-33-22(92)6-73(72(112)113,132-59(33)38(94)23(93)7-79)115-16-32-42(98)49(105)53(109)68(124-32)127-57-29(13-85)121-65(36(46(57)102)77-20(4)90)130-61-50(106)40(96)25(9-81)118-70(61)114-15-31-43(99)60(54(110)69(123-31)128-58-30(14-86)120-64(35(45(58)101)76-19(3)89)125-55-27(11-83)116-63(111)34(44(55)100)75-18(2)88)129-71-62(51(107)41(97)26(10-82)119-71)131-66-37(78-21(5)91)47(103)56(28(12-84)122-66)126-67-52(108)48(104)39(95)24(8-80)117-67/h22-71,79-86,92-111H,6-16H2,1-5H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,112,113)/t22-,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-,71+,73+/m0/s1
InChIKey	RJMGSKHQZFHLQW-SMEMFVMISA-N

Roles Classification

Biological Role:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology

Outgoing Relation(s)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71035) has role epitope (CHEBI:53000)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71035) is a amino decasaccharide (CHEBI:68691)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71035) is a glucosamine oligosaccharide (CHEBI:22485)

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

IUPAC Name

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

Synonyms	Source
β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	JCBN
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
Galβ1-4GlcNAcβ1-2Manα1-3(Neu5Acα2-6Galβ1-4GlcNAcβ1-2Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-2Manα1-6(Galβ1-4GlcNAcβ1-2Manα1-3)Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI

Manual Xrefs	Databases
G75850OP	GlyTouCan
G75850OP	GlyGen

Citations