EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145627 - β-D-Glcp-(1→3)-α-D-Glcp NAc

ChEBI IDCHEBI:145627
ChEBI Nameβ-D-Glcp-(1→3)-α-D-Glcp NAc
Stars
ASCII Namebeta-D-Glcp-(1->3)-alpha-D-GlcpNAc
DefinitionAn amino disaccharide that is an N-acetyl-α-D-glucosamine in which the hydroxy group at position 3 has been converted into the corresponding β-D-glucopyranoside.
Last Modified2 June 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO11
Net Charge0
Average Mass383.350
Monoisotopic Mass383.14276
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2/a3-b1
InChIInChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11-,12-,13+,14+/m1/s1
InChIKeyHMQPEDMEOBLSQB-JVWNEXKKSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→3)-α-D-Glcp NAc (CHEBI:145627) is a acetamides (CHEBI:22160)
β-D-Glcp-(1→3)-α-D-Glcp NAc (CHEBI:145627) is a amino disaccharide (CHEBI:22480)
β-D-Glcp-(1→3)-α-D-Glcp NAc (CHEBI:145627) is a glycosylglucose derivative (CHEBI:63361)
β-D-Glcp-(1→3)-α-D-Glcp NAc (CHEBI:145627) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-acetamido-2-deoxy-3-O-β-D-glucopyranosyl-α-D-glucopyranose
Synonyms  Source
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideIUPAC
Glc(b1-3)a-GlcNAcIUPAC
Manual XrefsDatabases
G67600YJGlyTouCan
G67600YJGlyGen