CHEBI:145626 - β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc
ChEBI ID CHEBI:145626
ChEBI ASCII Name beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc
Definition An amino trisaccharide consisting of β-D-mannose, β-D-2-acetamido-2-deoxyglucose and α-D-2-acetamido-2-deoxyglucose residues joined by sequential (1→4)-linkages.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/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 OCPQLCXSCTTXMX-QRJHGKPHSA-N
SMILES O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@H]1CO
ChEBI Ontology
Outgoing β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626) is a amino sugar (CHEBI:28963)
β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626) is a trisaccharide derivative (CHEBI:63571)
Incoming α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145610) has functional parent β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626)
IUPAC Name
β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose
Synonyms Sources
Man(b1-4)GlcNAc(b1-4)a-GlcNAc IUPAC
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC
WURCS=2.0/3,3,2/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-3/a4-b1_b4-c1 SUBMITTER
Manual Xrefs Databases
G12381 KEGG GLYCAN
G65996GC GlyTouCan
G65996GC GlyGen
View more database links
Last Modified
29 March 2022