beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->6)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->3)}-beta-D-Man-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:139447)

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CHEBI:139447 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI ID	CHEBI:139447
ChEBI Name	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->6)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->3)}-beta-D-Man-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	An amino oligosaccharide that is a branched dodecasaccharide derivative comprising N-acetylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in human thyroglobulin.
Last Modified	16 January 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C85H141N5O64
Net Charge	0
Average Mass	2257.034
Monoisotopic Mass	2255.79324
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](OC[C@H]4O[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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)[C@@H]5O)[C@@H](O)[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]5NC(C)=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/C85H141N5O64/c1-19(100)86-37-24(105)6-85(84(130)131,153-68(37)42(107)25(106)7-91)154-72-46(111)29(11-95)139-83(63(72)128)149-65-31(13-97)140-74(39(51(65)116)88-21(3)102)132-16-34-47(112)69(150-76-41(90-23(5)104)53(118)66(32(14-98)142-76)147-79-58(123)55(120)44(109)27(9-93)137-79)60(125)78(143-34)134-18-36-49(114)71(61(126)81(144-36)148-67-33(15-99)141-75(40(52(67)117)89-22(4)103)146-64-30(12-96)135-73(129)38(50(64)115)87-20(2)101)152-82-62(127)70(151-80-59(124)56(121)45(110)28(10-94)138-80)48(113)35(145-82)17-133-77-57(122)54(119)43(108)26(8-92)136-77/h24-83,91-99,105-129H,6-18H2,1-5H3,(H,86,100)(H,87,101)(H,88,102)(H,89,103)(H,90,104)(H,130,131)/t24-,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-,73+,74+,75-,76-,77-,78-,79-,80+,81-,82+,83-,85-/m0/s1
InChIKey	DPINEQHXIGGMGK-ZSSPDXEMSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:139447) is a N-glycan derivative (CHEBI:71275)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:139447) is a amino oligosaccharide (CHEBI:22483)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:139447) 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)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-α-D-mannopyranosyl-(1→6)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-α-D-mannopyranosyl-(1→6)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-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
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)]-α-D-Manp-(1→6)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→3)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc	ChEBI
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[α-sialyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl-(1→6)-{α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-α-D-mannosyl-(1→3)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
α-sialyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)]-α-D-mannosyl-(1→6)-{α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-α-D-mannosyl-(1→3)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)]-α-D-Man-(1→6)-{α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→3)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI
β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-α-D-Man-(1→6)-{α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→3)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI

Citations