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CHEBI:213503 - Penicolinate D

ChEBI IDCHEBI:213503
ChEBI NamePenicolinate D
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SubmitterMetaboLights
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FormulaC19H31NO3
Net Charge0
Average Mass321.461
Monoisotopic Mass321.23039
SMILESCOC(=O)c1ccc(CCCCCCCCCC[C@@H](C)O)cn1
InChIInChI=1S/C19H31NO3/c1-16(21)11-9-7-5-3-4-6-8-10-12-17-13-14-18(20-15-17)19(22)23-2/h13-16,21H,3-12H2,1-2H3/t16-/m1/s1
InChIKeyYJVYRBYLEGAOMP-MRXNPFEDSA-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 D (CHEBI:213503) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
methyl 5-[(11R)-11-hydroxydodecyl]pyridine-2-carboxylate
Manual XrefsDatabases
28945567ChemSpider