EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197551 - Semiplenamide B

ChEBI IDCHEBI:197551
ChEBI NameSemiplenamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45NO3
Net Charge0
Average Mass407.639
Monoisotopic Mass407.33994
SMILESCCCCCCCCCCCCC/C=C/CC/C=C(\C)C(=O)NCCOC(C)=O
InChIInChI=1S/C25H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)25(28)26-21-22-29-24(3)27/h16-17,20H,4-15,18-19,21-22H2,1-3H3,(H,26,28)/b17-16+,23-20+
InChIKeyQXKJTHBWYQHGEY-UEAIFQQQSA-N
Species of MetaboliteComponentSourceComments
Lyngbya semiplena (ncbitaxon:207923) - PubMed (14575438)
ChEBI Ontology
Outgoing Relation(s)
Semiplenamide B (CHEBI:197551) is a fatty amide (CHEBI:29348)
IUPAC Name 
2-[[(2E,6E)-2-methylicosa-2,6-dienoyl]amino]ethyl acetate
Manual XrefsDatabases
8629501ChemSpider