CHEBI:148623 - β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→4)]-β-D-Manp

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ChEBI Name β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→4)]-β-D-Manp
ChEBI ID CHEBI:148623
ChEBI ASCII Name beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->4)]-beta-D-Manp
Definition An amino trisaccharide that is β-D-mannopyranose in which the hydroxy groups at positions 2 and 4 have each been converted into the corresponding 2-acetamido-2-deoxy-β-D-glucopyranosyl derivative.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
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Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)36-20(35)19(17(18)34)40-22-12(24-7(2)29)16(33)14(31)9(4-26)38-22/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 FRRUBSFARAQWFR-DJDMKQGMSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O[C@@H]1CO)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→2)-[β-D-GlcpNAc-(1→4)]-β-D-Manp (CHEBI:148623) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→4)]-β-D-Manp (CHEBI:148623) is a amino trisaccharide (CHEBI:59266)
β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→4)]-β-D-Manp (CHEBI:148623) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-β-D-mannopyranose
GlcNAc(b1-2)[GlcNAc(b1-4)]b-Man
Synonyms Sources
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)]-β-D-manno-hexopyranose IUPAC
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC
WURCS=2.0/2,3,2/[a1122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a2-b1_a4-c1 SUBMITTER
Manual Xrefs Databases
G23378JF GlyTouCan
G23378JF GlyGen
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Last Modified
21 May 2020