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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 ChEBI ID CHEBI:146764 ChEBI 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gareth Owen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C54H91N3O41 Net Charge 0 Average Mass 1438.302 Monoisotopic Mass 1437.51280 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 SMILES CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)C(CO)OC1OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2NC(C)=O)C1O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in milk (BTO:0000868). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 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 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 SUBMITTER Manual Xrefs Databases G05014UV GlyTouCan G05014UV GlyGen G12796 KEGG GLYCAN View more database links Citations Types Sources 15158661 PubMed citation Europe PMC 20689231 PubMed citation Europe PMC 26613816 PubMed citation Europe PMC 32734137 PubMed citation Europe PMC Last Modified 01 August 2023