beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose (CHEBI:146764)

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CHEBI:146764 - β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose

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ChEBI ID	CHEBI:146764
ChEBI Name	β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Stars
ASCII Name	beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
Definition	A branched amino octasaccharide that consists of the linear tetrasaccharide β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc in which the β-D-Gal residue is substituted at position 6 by a β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc group. It is found in human milk.
Last Modified	1 August 2023
Submitter	Gareth Owen
Downloads	Molfile

Formula	C54H91N3O41
Net Charge	0
Average Mass	1438.302
Monoisotopic Mass	1437.51280
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[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](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCS	WURCS=2.0/3,8,7/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2-3-2/a4-b1_b3-c1_b6-e1_c4-d1_e4-f1_f3-g1_g3-h1
InChI	InChI=1S/C54H91N3O41/c1-12(65)55-23-31(73)41(94-53-39(81)45(29(71)18(7-61)89-53)98-50-25(57-14(3)67)44(28(70)17(6-60)86-50)96-52-38(80)34(76)27(69)16(5-59)88-52)20(9-63)90-48(23)84-11-22-30(72)46(40(82)54(92-22)95-43-19(8-62)85-47(83)36(78)35(43)77)97-49-24(56-13(2)66)32(74)42(21(10-64)91-49)93-51-37(79)33(75)26(68)15(4-58)87-51/h15-54,58-64,68-83H,4-11H2,1-3H3,(H,55,65)(H,56,66)(H,57,67)/t15-,16-,17-,18-,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+/m1/s1
InChIKey	ZCOUIYKRZRQNIT-GQFBKVBDSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	milk (BTO:0000868)	PubMed (26613816)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:146764) has role human metabolite (CHEBI:77746)
	β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:146764) is a amino octasaccharide (CHEBI:71060)

IUPAC Name
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(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
β-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-[β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)]-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranose	SUBMITTER
Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-3)]Gal(b1-4)Glc	SUBMITTER
lacto-N-neooctaose	KEGG GLYCAN
LNnO	ChEBI

Manual Xrefs	Databases
G05014UV	GlyTouCan
G05014UV	GlyGen
G12796	KEGG GLYCAN

Citations