EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206853 - Malyngamide W

ChEBI IDCHEBI:206853
ChEBI NameMalyngamide W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39NO5
Net Charge0
Average Mass409.567
Monoisotopic Mass409.28282
SMILESCCCCC[C@@H](C/C=C/CCC(=O)NCC(OC)C1=CC[C@@H](O)[C@@H](C)C1=O)OC
InChIInChI=1S/C23H39NO5/c1-5-6-8-11-18(28-3)12-9-7-10-13-22(26)24-16-21(29-4)19-14-15-20(25)17(2)23(19)27/h7,9,14,17-18,20-21,25H,5-6,8,10-13,15-16H2,1-4H3,(H,24,26)/b9-7+/t17-,18+,20-,21?/m1/s1
InChIKeyZECLKHBQXKMZMZ-JEBUHTPESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (12542362)
ChEBI Ontology
Outgoing Relation(s)
Malyngamide W (CHEBI:206853) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(E,7S)-N-[2-[(4R,5R)-4-hydroxy-5-methyl-6-oxocyclohexen-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide
Manual XrefsDatabases
9190271ChemSpider