EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212667 - Pitiamide A

Default Structure
ChEBI IDCHEBI:212667
ChEBI NamePitiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36ClNO2
Net Charge0
Average Mass381.988
Monoisotopic Mass381.24346
SMILESCCC/C=C/CCC(=O)NCCC(C)CC(=O)C(C)CC/C=C/C=C/Cl
InChIInChI=1S/C22H36ClNO2/c1-4-5-6-7-11-14-22(26)24-17-15-19(2)18-21(25)20(3)13-10-8-9-12-16-23/h6-9,12,16,19-20H,4-5,10-11,13-15,17-18H2,1-3H3,(H,24,26)/b7-6+,9-8+,16-12+
InChIKeyTUUKQSSERLFGKD-GEOWMXDOSA-N
ChEBI Ontology
Outgoing Relation(s)
Pitiamide A (CHEBI:212667) is a fatty amide (CHEBI:29348)
IUPAC Name 
(E)-N-[(9E,11E)-12-chloro-3,6-dimethyl-5-oxododeca-9,11-dienyl]oct-4-enamide
Manual XrefsDatabases
10476894ChemSpider