beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->6)-{alpha-Neup5Ac-(2->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)}-beta-D-Galp-(1->4)-D-Glcp (CHEBI:146593)

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

CHEBI:146593 - β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)}-β-D-Galp-(1→4)-D-Glcp

ChEBI ID	CHEBI:146593
ChEBI Name	β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)}-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Name	beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->6)-{alpha-Neup5Ac-(2->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)}-beta-D-Galp-(1->4)-D-Glcp
Definition	A branched amino nonasaccharide consisting of a linear sequence of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and D-glucose residues linked sequentially (2→3), (1→3), (1→3) and (1→4), to the N-acetyl-β-D-glucosaminyl residue is also linked (2→6) an N-acetyl-α-neuraminyl residue, while the galactosyl residue proximal to the reducing end has also linked (1→3) to it an α-L-fucosyl (1→3)-[β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminyl trisaccharide unit.
Last Modified	19 March 2021
Submitter	Gareth Owen
Downloads	Molfile

Formula	C68H112N4O51
Net Charge	0
Average Mass	1801.621
Monoisotopic Mass	1800.62935
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](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCS	WURCS=2.0/5,9,8/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-4-3-5-2/a4-b1_b3-c1_b6-g1_c3-d1_c6-f2_d3-e2_g3-h1_g4-i1
InChI	InChI=1S/C68H112N4O51/c1-16-35(87)42(94)46(98)61(109-16)119-55-34(72-20(5)82)59(113-28(13-78)51(55)117-62-47(99)43(95)38(90)25(10-75)111-62)107-14-29-41(93)56(48(100)63(115-29)116-50-27(12-77)110-58(102)45(97)44(50)96)120-60-33(71-19(4)81)52(40(92)30(114-60)15-108-67(65(103)104)6-21(83)31(69-17(2)79)53(121-67)36(88)23(85)8-73)118-64-49(101)57(39(91)26(11-76)112-64)123-68(66(105)106)7-22(84)32(70-18(3)80)54(122-68)37(89)24(86)9-74/h16,21-64,73-78,83-102H,6-15H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,103,104)(H,105,106)/t16-,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-,62-,63-,64-,67+,68-/m0/s1
InChIKey	GEZZHZATYHGJRR-HQLYRYAHSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)}-β-D-Galp-(1→4)-D-Glcp (CHEBI:146593) is a amino nonasaccharide (CHEBI:68818)
	β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)}-β-D-Galp-(1→4)-D-Glcp (CHEBI:146593) is a glucosamine oligosaccharide (CHEBI:22485)
	β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)}-β-D-Galp-(1→4)-D-Glcp (CHEBI:146593) is a neuraminic acids (CHEBI:25508)

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

IUPAC Name

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

Synonyms	Source
NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc	SUBMITTER
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2→3)-beta-D-galacto-hexopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2→6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1→3)-[beta-D-galacto-hexopyranosyl-(1→4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→6)]-beta-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranose	SUBMITTER
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid	ChEBI
Galb1-4(Fuca1-3)GlcNAcb1-6(Neu5Aca2-6(Neu5Aca2-3Galb1-3)GlcNAcb1-3)Galb1-4Glc	ChEBI
β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)-{α-Neu5Ac-(2→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→3)]-β-D-GlcNAc-(1→3)}-β-D-Gal-(1→4)-D-Glc	ChEBI
Fucα1-3(Galβ1-4)GlcNAcβ1-6(Neu5Acα2-6(Neu5Acα2-3Galβ1-3)GlcNAcβ1-3)Galβ1-4Glc	IUPAC

Manual Xrefs	Databases
G03629LR	GlyTouCan
G03629LR	GlyGen

Citations