CHEBI:60172 - β-D-Gal-(1→4)-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→4)-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:60172
ChEBI ASCII Name beta-D-Gal-(1->4)-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, which is a constituent of human breast milk.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3337152, ChemicalBook:CB0337151, eMolecules:480325, Selleckchem:Fumalic-acid(Ferulic-acid), ZINC000000058258
Download Molfile XML SDF
Formula C40H68N2O31
Net Charge 0
Average Mass 1072.96270
Monoisotopic Mass 1072.38060
InChI InChI=1S/C40H68N2O31/c1-9(48)41-17-22(53)31(70-38-28(59)24(55)19(50)11(3-43)65-38)14(6-46)67-36(17)63-8-16-21(52)34(30(61)40(69-16)72-33-13(5-45)64-35(62)27(58)26(33)57)73-37-18(42-10(2)49)23(54)32(15(7-47)68-37)71-39-29(60)25(56)20(51)12(4-44)66-39/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 NPPRJALWPIXIHO-PNCMPRLYSA-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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O
ChEBI Ontology
Outgoing β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc (CHEBI:60172) is a amino hexasaccharide (CHEBI:61855)
β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc (CHEBI:60172) is a glucosamine oligosaccharide (CHEBI:22485)
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→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms Sources
β-D-galactosyl-(1→4)-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→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp ChEBI
Galβ1-4GlcNAcβ1-3(Galβ1-4GlcNAcβ1-6)Galβ1-4Glc ChEBI
Lacto-N-neohexaose KEGG GLYCAN
LNnH 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_c4-d1_e4-f1 GlyTouCan
Manual Xrefs Databases
G00555 KEGG GLYCAN
G54021WX GlyGen
G54021WX GlyTouCan
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Registry Number Type Source
5717647 Reaxys Registry Number Reaxys
Citations Types Sources
11787695 PubMed citation Europe PMC
12042246 PubMed citation Europe PMC
15158661 PubMed citation Europe PMC
19913595 PubMed citation Europe PMC
4537310 PubMed citation Europe PMC
7790083 PubMed citation Europe PMC
Last Modified
13 April 2021