EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138516 - α-Neup5Ac-(2→6)-α-D-GalpNAc-O-propargyl

ChEBI IDCHEBI:138516
ChEBI Nameα-Neup5Ac-(2→6)-α-D-GalpNAc-O-propargyl
Stars
ASCII Namealpha-Neup5Ac-(2->6)-alpha-D-GalpNAc-O-propargyl
DefinitionA glycoside consisting of α-Neup5Ac-(2→6)-α-D-GalpNAc linked glycosidically to a propargyl (prop-2-yn-1-yl) group.
Last Modified26 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H34N2O14
Net Charge0
Average Mass550.514
Monoisotopic Mass550.20100
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](OCC#C)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C22H34N2O14/c1-4-5-35-20-15(24-10(3)27)18(32)17(31)13(37-20)8-36-22(21(33)34)6-11(28)14(23-9(2)26)19(38-22)16(30)12(29)7-25/h1,11-20,25,28-32H,5-8H2,2-3H3,(H,23,26)(H,24,27)(H,33,34)/t11-,12+,13+,14+,15+,16+,17-,18+,19+,20-,22+/m0/s1
InChIKeyYQVBYRNOAHXEST-YCNDTCSDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-α-D-GalpNAc-O-propargyl (CHEBI:138516) is a glycoside (CHEBI:24400)
IUPAC Name 
prop-2-yn-1-yl 2-acetamido-6-O-(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-2-deoxy-α-D-galactopyranoside
Synonym  Source
propargyl N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminideChEBI
Citations