alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-D-Glcp (CHEBI:85823)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85823 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→3)-[α-L-Fucp-(1→2)-β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp

Take structure to advanced search

ChEBI ID	CHEBI:85823
ChEBI Name	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→3)-[α-L-Fucp-(1→2)-β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Name	alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-D-Glcp
Definition	A branched amino nonasaccharide comprising a linear pentasaccharide chain of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and D-glucose residues linked sequentially (2→6), (1→4), (1→6) and (1→4), to the galactose residue nearer to the reducing end is also linked (1→3) a branched α-L-fucosyl-(1→3)-[α-L-fucosyl-(1→2)-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminyl tetrasaccharide unit.
Last Modified	9 July 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C63H105N3O47
Net Charge	0
Average Mass	1656.507
Monoisotopic Mass	1655.59184
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](OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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
InChI	InChI=1S/C63H105N3O47/c1-14-30(77)37(84)43(90)57(99-14)110-51-29(66-18(5)74)56(104-24(11-71)49(51)109-61-53(40(87)33(80)21(8-68)102-61)112-58-44(91)38(85)31(78)15(2)100-58)111-52-35(82)25(105-60(46(52)93)108-48-22(9-69)101-54(94)42(89)41(48)88)12-97-55-28(65-17(4)73)36(83)47(23(10-70)103-55)107-59-45(92)39(86)34(81)26(106-59)13-98-63(62(95)96)6-19(75)27(64-16(3)72)50(113-63)32(79)20(76)7-67/h14-15,19-61,67-71,75-94H,6-13H2,1-5H3,(H,64,72)(H,65,73)(H,66,74)(H,95,96)/t14-,15-,19-,20+,21+,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-,63+/m0/s1
InChIKey	NRHSLWDUNBMGAW-JOOAWSOISA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→3)-[α-L-Fucp-(1→2)-β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:85823) is a amino nonasaccharide (CHEBI:68818)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→3)-[α-L-Fucp-(1→2)-β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:85823) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Names
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→6)-[6-deoxy-α-L-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
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→6)-[α-L-fucopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose

Synonyms	Source
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[α-L-fucosyl-(1→3)-[α-L-fucosyl-(1→2)-β-D-galactosyl-(→4)]-N-acetyl-β-D-glucosaminyl-(1→3)]-β-D-galactosyl-(1→4)-D-glucose	ChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-6(Fucα1-2Galβ1-4(Fucα1-3)GlcNAcβ1-3)Galβ1-4Glc	ChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-6(Fuca1-2Galb1-4(Fuca1-3)GlcNAcb1-3)Galb1-4Glc	ChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[α-L-Fuc-(1→3)-[α-L-Fuc-(1→2)-β-D-Gal-(1→4)]-β-D-GlcNAc-(1→3)]-β-D-Gal-(1→4)-D-Glc	ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→4)-D-glucopyranose	ChEBI
D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→4)-	ChEBI

Citations