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CHEBI:222239 - Valilactone

ChEBI IDCHEBI:222239
ChEBI NameValilactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39NO5
Net Charge0
Average Mass397.556
Monoisotopic Mass397.28282
SMILESCCCCCC[C@@H]1C(=O)O[C@H]1C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C
InChIInChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
InChIKeyWWGVIIVMPMBQFV-MUGJNUQGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3693135)
ChEBI Ontology
Outgoing Relation(s)
Valilactone (CHEBI:222239) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-yl] (2S)-2-ormamido-3-methylbutanoate
Manual XrefsDatabases
169154ChemSpider