EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74979 - 2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate

ChEBI IDCHEBI:74979
ChEBI Name2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate
Stars
ASCII Name2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate
DefinitionA disaccharide derivative consisting of an N-acetyl-α-D-glucosaminyl residue linked (1→3) to an α-D-glucoside residue, the anomeric carbon of which is linked to O-2 of D-glyceric acid and the O-6 of which is connecteded via a phospho linkage to a 5-aminopentyl group.
Last Modified29 July 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H41N2O17P
Net Charge0
Average Mass636.541
Monoisotopic Mass636.21428
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](COP(=O)(O)OCCCCCN)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H41N2O17P/c1-10(27)24-14-17(30)15(28)11(7-25)38-21(14)41-19-16(29)13(9-37-42(34,35)36-6-4-2-3-5-23)40-22(18(19)31)39-12(8-26)20(32)33/h11-19,21-22,25-26,28-31H,2-9,23H2,1H3,(H,24,27)(H,32,33)(H,34,35)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,21-,22+/m1/s1
InChIKeyASPLJUBYBSNNJX-FFYLAZAZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate (CHEBI:74979) is a disaccharide derivative (CHEBI:63353)
IUPAC Name 
(2R)-2-{[3-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-α-D-glucopyranosyl]oxy}-3-hydroxypropanoic acid
Citations