EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101179 - 2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid

ChEBI IDCHEBI:101179
ChEBI Name2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
Stars
DownloadsMolfile
FormulaC15H16FNO5
Net Charge0
Average Mass309.293
Monoisotopic Mass309.10125
SMILESO=C(O)C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1
InChIInChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13+/m0/s1
InChIKeyQPJNNDOFKLWHFX-ZWKOPEQDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid (CHEBI:101179) is a carbonyl compound (CHEBI:36586)
2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid (CHEBI:101179) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-12548LINCS