CHEBI:148113 - β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc
ChEBI ID CHEBI:148113
ChEBI ASCII Name beta-D-GlcpNAc-(1->4)-[beta-D-Manp-(1->6)]-beta-D-GlcpNAc
Definition An amino trisaccharide that is 2-acetamido-2-deoxy-β-D-glucopyranose in which the hydroxy groups at positions 4 and 6 have been converted into the corresponding 2-acetamido-2-deoxy-β-D-glucopyranosyl and β-D-mannopyranosyl derivatives, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(40-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21)10(37-20(11)35)5-36-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
InChIKey WPRADGGPMBSMAN-GWHHVMAYSA-N
SMILES O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO
ChEBI Ontology
Outgoing β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc (CHEBI:148113) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc (CHEBI:148113) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc (CHEBI:148113) is a amino trisaccharide (CHEBI:59266)
β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc (CHEBI:148113) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[β-D-mannopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranose
GlcNAc(b1-4)[Man(b1-6)]b-GlcNAc
Synonyms Sources
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-[β-D-manno-hexopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranose IUPAC
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide IUPAC
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_a6-c1 SUBMITTER
Manual Xrefs Databases
G16421CZ GlyGen
G16421CZ GlyTouCan
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Last Modified
20 May 2020