EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117998 - 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

ChEBI IDCHEBI:117998
ChEBI Name2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
Stars
DownloadsMolfile
FormulaC12H21NO5
Net Charge0
Average Mass259.302
Monoisotopic Mass259.14197
SMILESCCC(=O)N[C@H]1CC[C@H](CC(=O)OC)O[C@H]1CO
InChIInChI=1S/C12H21NO5/c1-3-11(15)13-9-5-4-8(6-12(16)17-2)18-10(9)7-14/h8-10,14H,3-7H2,1-2H3,(H,13,15)/t8-,9+,10+/m1/s1
InChIKeyRKZMUCFCOIAGGT-UTLUCORTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester (CHEBI:117998) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29447LINCS