EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64179 - 3-O-Ac-α-D-GalpANAc-(1→4)-3-O-Ac-α-D-GalpANAc

ChEBI IDCHEBI:64179
ChEBI Name3-O-Ac-α-D-GalpANAc-(1→4)-3-O-Ac-α-D-GalpANAc
Stars
ASCII Name3-O-Ac-alpha-D-GalpANAc-(1->4)-3-O-Ac-alpha-D-GalpANAc
DefinitionAn amino disaccharide that consists of two 2-acetamido-3-O-acetyl-2-deoxy-α-D-galactopyranuronosyl units joined by a (1→4)-linkage.
Last Modified15 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC20H28N2O15
Net Charge0
Average Mass536.443
Monoisotopic Mass536.14897
SMILESCC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](OC(C)=O)[C@H]2NC(C)=O)[C@@H](C(=O)O)O[C@@H]1O
InChIInChI=1S/C20H28N2O15/c1-5(23)21-9-13(34-8(4)26)15(16(18(30)31)35-19(9)32)37-20-10(22-6(2)24)12(33-7(3)25)11(27)14(36-20)17(28)29/h9-16,19-20,27,32H,1-4H3,(H,21,23)(H,22,24)(H,28,29)(H,30,31)/t9-,10-,11-,12-,13-,14+,15-,16+,19+,20-/m1/s1
InChIKeyZKHOBQRRCAJVAX-DZGFSUOXSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Ac-α-D-GalpANAc-(1→4)-3-O-Ac-α-D-GalpANAc (CHEBI:64179) is a amino disaccharide (CHEBI:22480)
3-O-Ac-α-D-GalpANAc-(1→4)-3-O-Ac-α-D-GalpANAc (CHEBI:64179) is a carbohydrate acid derivative (CHEBI:63436)
IUPAC Name 
2-acetamido-3-O-acetyl-2-deoxy-α-D-galactopyranuronosyl-(1→4)-2-acetamido-3-O-acetyl-2-deoxy-α-D-galactopyranuronic acid
Synonyms  Source
3-O-Ac-α-D-GalANAc-(1→4)-3-O-Ac-α-D-GalANAcChEBI
[4)-3-O-Ac-α-D-GalpANAc(1→]2ChEBI
2-acetamido-4-O-(2-acetamido-3-O-acetyl-2-deoxy-α-D-galactopyranuronosyl)-3-O-acetyl-2-deoxy-α-D-galactopyranuronic acidIUPAC
Citations