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CHEBI:147490 - β-D-galactopyranosyl-(1→3)-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 IDCHEBI:147490
ChEBI Nameβ-D-galactopyranosyl-(1→3)-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 Namebeta-D-galactopyranosyl-(1->3)-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
DefinitionA 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-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 Modified1 August 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC54H91N3O41
Net Charge0
Average Mass1438.302
Monoisotopic Mass1437.51280
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=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_g3-h1
InChIInChI=1S/C54H91N3O41/c1-12(65)55-23-32(74)41(93-53-39(81)45(30(72)19(8-62)90-53)97-49-24(56-13(2)66)43(28(70)17(6-60)86-49)95-51-37(79)33(75)26(68)15(4-58)88-51)21(10-64)91-48(23)84-11-22-31(73)46(40(82)54(92-22)94-42-20(9-63)85-47(83)36(78)35(42)77)98-50-25(57-14(3)67)44(29(71)18(7-61)87-50)96-52-38(80)34(76)27(69)16(5-59)89-52/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
InChIKeyIIKHZJJYLSFOGG-QGUVIPSYSA-N
Species of MetaboliteComponentSourceComments
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→3)-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:147490) has role human metabolite (CHEBI:77746)
β-D-galactopyranosyl-(1→3)-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:147490) 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→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
Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)GlcNAc(b1-3)]Gal(b1-4)GlcSUBMITTER
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→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)]-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranoseSUBMITTER
iLNOChEBI
iso-lacto-N-octaoseChEBI
Manual XrefsDatabases
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G16900UBGlyGen
G12797KEGG GLYCAN
Citations