EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101801 - 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

ChEBI IDCHEBI:101801
ChEBI Name2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
Stars
DownloadsMolfile
FormulaC14H18N2O5
Net Charge0
Average Mass294.307
Monoisotopic Mass294.12157
SMILESO=C(O)C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1
InChIInChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12+/m1/s1
InChIKeyPLQUATFCVTZMJC-WOPDTQHZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid (CHEBI:101801) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-13163LINCS