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CHEBI:199899 - Penicolinate A

ChEBI IDCHEBI:199899
ChEBI NamePenicolinate A
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SubmitterMetaboLights
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FormulaC24H32N2O4
Net Charge0
Average Mass412.530
Monoisotopic Mass412.23621
SMILESCOC(=O)c1ccc(CCCCCCCCCCc2ccc(C(=O)OC)nc2)cn1
InChIInChI=1S/C24H32N2O4/c1-29-23(27)21-15-13-19(17-25-21)11-9-7-5-3-4-6-8-10-12-20-14-16-22(26-18-20)24(28)30-2/h13-18H,3-12H2,1-2H3
InChIKeyKQNPVQGFUTVYPP-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 A (CHEBI:199899) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
methyl 5-[10-(6-methoxycarbonylpyridin-3-yl)decyl]pyridine-2-carboxylate
Manual XrefsDatabases
78434646ChemSpider