CHEBI:205163 - 2-methyl-heptyl isonicotinate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-methyl-heptyl isonicotinate
ChEBI ID CHEBI:205163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H21NO2
Net Charge 0
Average Mass 235.327
Monoisotopic Mass 235.15723
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
SMILES O=C(OC[C@H](CCCCC)C)C1=CC=NC=C1
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
24823967 ChemSpider
View more database links