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CHEBI:213961 - Penicolinate E

ChEBI IDCHEBI:213961
ChEBI NamePenicolinate E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29NO3
Net Charge0
Average Mass319.445
Monoisotopic Mass319.21474
SMILESCOC(=O)c1ccc(CCCCCCCCCCC(C)=O)cn1
InChIInChI=1S/C19H29NO3/c1-16(21)11-9-7-5-3-4-6-8-10-12-17-13-14-18(20-15-17)19(22)23-2/h13-15H,3-12H2,1-2H3
InChIKeyUHJLMQFCMOAMFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies BCC16054 (ncbitaxon:1323390) - DOI (10.1016/j.tetlet.2012.11.028)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicolinate E (CHEBI:213961) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
methyl 5-(11-oxododecyl)pyridine-2-carboxylate
Manual XrefsDatabases
78434856ChemSpider