EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206118 - (1S,2S)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester

ChEBI IDCHEBI:206118
ChEBI Name(1S,2S)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCCCCC[C@@H]1C(=O)CC[C@@H]1CCCC(=O)OC
InChIInChI=1S/C15H26O3/c1-3-4-5-8-13-12(10-11-14(13)16)7-6-9-15(17)18-2/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyUHUOVKQTMKOWAH-STQMWFEESA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - DOI (10.1016/s0031-9422(98)00596-2)
ChEBI Ontology
Outgoing Relation(s)
(1S,2S)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester (CHEBI:206118) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 4-[(1S,2S)-3-oxo-2-pentylcyclopentyl]butanoate
Manual XrefsDatabases
78437311ChemSpider