2-methyl-heptyl isonicotinate (CHEBI:205163)

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CHEBI:205163 - 2-methyl-heptyl isonicotinate

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ChEBI ID	CHEBI:205163
ChEBI Name	2-methyl-heptyl isonicotinate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H21NO2
Net Charge	0
Average Mass	235.327
Monoisotopic Mass	235.15723
SMILES	CCCCC[C@H](C)COC(=O)c1ccncc1
InChI	InChI=1S/C14H21NO2/c1-3-4-5-6-12(2)11-17-14(16)13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3/t12-/m0/s1
InChIKey	SJGJCJLSSXJWOR-LBPRGKRZSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	DOI (10.1271/bbb.65.1856)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2-methyl-heptyl isonicotinate (CHEBI:205163) is a aromatic carboxylic acid (CHEBI:33859)
	2-methyl-heptyl isonicotinate (CHEBI:205163) is a pyridines (CHEBI:26421)

IUPAC Name
[(2S)-2-methylheptyl] pyridine-4-carboxylate

Manual Xrefs	Databases
24823967	ChemSpider