CHEBI:60171 - β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc
ChEBI ID CHEBI:60171
ChEBI ASCII Name beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-D-Glc
Definition A branched amino hexasaccharide made up from three galactose residues, two glucosamine residues and one glucose residue (at the reducing end); a constituent of human breast milk.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H68N2O31
Net Charge 0
Average Mass 1072.96270
Monoisotopic Mass 1072.38060
InChI InChI=1S/C40H68N2O31/c1-9(48)41-17-23(54)31(70-38-28(59)24(55)19(50)11(3-43)66-38)15(7-47)68-36(17)63-8-16-22(53)34(30(61)40(69-16)71-32-14(6-46)64-35(62)27(58)26(32)57)73-37-18(42-10(2)49)33(21(52)13(5-45)65-37)72-39-29(60)25(56)20(51)12(4-44)67-39/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,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+/m1/s1
InChIKey PDWGIAAFQACISG-QZBWVFMZSA-N
SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[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]3O)[C@H]2NC(C)=O)[C@H]1O
ChEBI Ontology
Outgoing β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc (CHEBI:60171) is a amino hexasaccharide (CHEBI:61855)
β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc (CHEBI:60171) is a glucosamine oligosaccharide (CHEBI:22485)
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→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms Sources
(Gal)3 (Glc)1 (GlcNAc)2 KEGG GLYCAN
β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-β-D-galactosyl-(1→4)-D-glucose ChEBI
β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp ChEBI
Galβ1-4GlcNAcβ1-6(Galβ1-3GlcNAcβ1-3)Galβ1-4Glc ChEBI
Lacto-N-hexaose ChemIDplus
LNH KEGG GLYCAN
WURCS=2.0/3,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a4-b1_b3-c1_b6-e1_c3-d1_e4-f1 GlyTouCan
Manual Xrefs Databases
G00993 KEGG GLYCAN
G62056VT GlyTouCan
G62056VT GlyGen
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Registry Numbers Types Sources
11895623 Beilstein Registry Number Beilstein
19536490 Reaxys Registry Number Reaxys
64003-51-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15158661 PubMed citation Europe PMC
19913595 PubMed citation Europe PMC
7574700 PubMed citation Europe PMC
7790083 PubMed citation Europe PMC
Last Modified
13 April 2021