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CHEBI:150053 - β-D-GlcpNAc-(1→3)-α-D-Glcp

Default Structure
ChEBI IDCHEBI:150053
ChEBI Nameβ-D-GlcpNAc-(1→3)-α-D-Glcp
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-alpha-D-Glcp
DefinitionAn amino disaccharide that is α-D-glucopyranose in which the hydroxy group at position 3 has been converted into the corresponding 2-acetamido-2-deoxy-β-D-glucopyranosyl derivative.
Last Modified27 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO11
Net Charge0
Average Mass383.350
Monoisotopic Mass383.14276
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1
InChIInChI=1S/C14H25NO11/c1-4(18)15-7-10(21)8(19)5(2-16)25-14(7)26-12-9(20)6(3-17)24-13(23)11(12)22/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+/m1/s1
InChIKeyIXWNIYCPCRHGAE-LPELKEAZSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-α-D-Glcp (CHEBI:150053) has functional parent N-acetyl-β-D-glucosamine (CHEBI:28009)
β-D-GlcpNAc-(1→3)-α-D-Glcp (CHEBI:150053) has functional parent α-D-glucose (CHEBI:17925)
β-D-GlcpNAc-(1→3)-α-D-Glcp (CHEBI:150053) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→3)-α-D-Glcp (CHEBI:150053) is a amino disaccharide (CHEBI:22480)
IUPAC Names 
3-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-α-D-glucopyranose
GlcNAc(b1-3)a-Glc
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-α-D-gluco-hexopyranoseIUPAC
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G34447ANGlyTouCan
G34447ANGlyGen