CHEBI:147000 - α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc
ChEBI ID CHEBI:147000
ChEBI ASCII Name alpha-D-GalpNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcpNAc
Definition An aminotrisaccharide consisting of 2-acetamido-2-deoxy-α-D-galactose, β-D-galactopyranose and 2-acetamido-2-deoxy-β-D-glucopyranose residues joined in sequence by (1→3) and (1→4) glycosidic bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22+/m1/s1
InChIKey LJYGCZXFBOCZHA-YYSXZPJPSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)O[C@@H]([C@@H]1O)CO)[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3NC(=O)C)CO
ChEBI Ontology
Outgoing α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) has functional parent α-D-GalpNAc-(1→3)-β-D-Galp (CHEBI:62335)
α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) has functional parent N-acetyllactosamine (CHEBI:16153)
α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) is a acetamides (CHEBI:22160)
α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) is a amino trisaccharide (CHEBI:59266)
IUPAC Names
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
GalNAc(a1-3)Gal(b1-4)b-GlcNAc
Synonyms Sources
2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose IUPAC
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1 SUBMITTER
Manual Xrefs Databases
G06483KZ GlyTouCan
G06483KZ GlyGen
View more database links
Last Modified
19 May 2020