EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218564 - CJ-14,877

ChEBI IDCHEBI:218564
ChEBI NameCJ-14,877
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCOC(=O)c1ccc([C@H](O)[C@H](C)O)cn1
InChIInChI=1S/C10H13NO4/c1-6(12)9(13)7-3-4-8(11-5-7)10(14)15-2/h3-6,9,12-13H,1-2H3/t6-,9+/m0/s1
InChIKeyXZXCYBBAXJQLFQ-IMTBSYHQSA-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-14,877 (CHEBI:218564) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
methyl 5-[(1S,2S)-1,2-dihydroxypropyl]pyridine-2-carboxylate
Manual XrefsDatabases
7970104ChemSpider