EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123454 - 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid

ChEBI IDCHEBI:123454
ChEBI Name2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
Stars
DownloadsMolfile
FormulaC14H16N2O5
Net Charge0
Average Mass292.291
Monoisotopic Mass292.10592
SMILESO=C(O)C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1
InChIInChI=1S/C14H16N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h1-6,10-12,17H,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12-/m0/s1
InChIKeyIZKTYYLZYIIGGX-TUAOUCFPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid (CHEBI:123454) is a aromatic carboxylic acid (CHEBI:33859)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid (CHEBI:123454) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-34896LINCS