EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221388 - CJ-14,897

ChEBI IDCHEBI:221388
ChEBI NameCJ-14,897
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO5
Net Charge0
Average Mass253.254
Monoisotopic Mass253.09502
SMILESCOC(=O)c1ccc([C@H](O)[C@H](C)OC(C)=O)cn1
InChIInChI=1S/C12H15NO5/c1-7(18-8(2)14)11(15)9-4-5-10(13-6-9)12(16)17-3/h4-7,11,15H,1-3H3/t7-,11+/m0/s1
InChIKeyCTJGPKROOIGCCC-WRWORJQWSA-N
Species of MetaboliteComponentSourceComments
Marasmiellus (ncbitaxon:71896) - PubMed (11714225)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
CJ-14,897 (CHEBI:221388) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
methyl 5-[(1S,2S)-2-acetyloxy-1-hydroxypropyl]pyridine-2-carboxylate
Manual XrefsDatabases
8374425ChemSpider