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CHEBI:157443 - 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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose

Default Structure
ChEBI IDCHEBI:157443
ChEBI Nameβ-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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Stars
ASCII Namebeta-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->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
DefinitionA linear amino octasaccharide comprised of β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose and D-glucose residues linked sequentially (1→4), (1→3), (1→4), (1→3), (1→4), (1→3) and (1→4). 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](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)C(O)O[C@@H]7CO)[C@@H]6O)O[C@@H]5CO)[C@@H]4O)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
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_c4-d1_d3-e1_e4-f1_f3-g1_g4-h1
InChIInChI=1S/C54H91N3O41/c1-12(66)55-23-30(73)40(92-51-36(79)33(76)26(69)15(4-58)85-51)20(9-63)89-48(23)96-44-27(70)16(5-59)86-52(37(44)80)93-41-21(10-64)90-49(24(31(41)74)56-13(2)67)97-45-28(71)17(6-60)87-53(38(45)81)94-42-22(11-65)91-50(25(32(42)75)57-14(3)68)98-46-29(72)18(7-61)88-54(39(46)82)95-43-19(8-62)84-47(83)35(78)34(43)77/h15-54,58-65,69-83H,4-11H2,1-3H3,(H,55,66)(H,56,67)(H,57,68)/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
InChIKeyJRRQMGXUUBRQDE-YEFBXUEHSA-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→4)-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→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:157443) has role human metabolite (CHEBI:77746)
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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:157443) 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→4)-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)-D-glucopyranose
Synonyms  Source
para-lacto-N-neooctaoseChEBI
pLNnOChEBI
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcSUBMITTER
Galβ4GlcNAcβ3Galβ4GlcNAcβ3Galβ4GlcNAcβ3Galβ4GlcChEBI
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→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G85735NRGlyTouCan
G85735NRGlyGen
Citations