CHEBI:150693 - 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→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 Name 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→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:150693 ChEBI ASCII Name 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->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→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Gal in which the β-D-Gal residue is substituted at position 6 by a β-D-Gal-(1→4)-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)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)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)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/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 XKZINQYAQFFPLZ-GQFBKVBDSA-N SMILES CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(C)=O)C2O)C(CO)OC1OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)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->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-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→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-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:150693) has role human metabolite (CHEBI:77746) 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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:150693) is a amino octasaccharide (CHEBI:71060) IUPAC Name 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→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→4)-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→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)]-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranose SUBMITTER Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)GlcNAc(b1-3)]Gal(b1-4)Glc SUBMITTER lacto-N-octaose ChEBI LNO 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_c3-d1_e4-f1_f3-g1_g4-h1 SUBMITTER Manual Xrefs Databases G02881 KEGG GLYCAN G37043KH GlyTouCan G37043KH GlyGen View more database links Citations Types Sources 15158661 PubMed citation Europe PMC 26613816 PubMed citation Europe PMC 677898 PubMed citation Europe PMC Last Modified 01 August 2023