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CHEBI:192217 - Malyngamide I

ChEBI IDCHEBI:192217
ChEBI NameMalyngamide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42ClNO5
Net Charge0
Average Mass484.077
Monoisotopic Mass483.27515
SMILES[H][C@@]12C[C@H](O)[C@H](C)C(=O)[C@]1(/C(=C\Cl)CN(C)C(=O)CC/C=C/C[C@H](CCCCCCC)OC)O2
InChIInChI=1S/C26H42ClNO5/c1-5-6-7-8-10-13-21(32-4)14-11-9-12-15-24(30)28(3)18-20(17-27)26-23(33-26)16-22(29)19(2)25(26)31/h9,11,17,19,21-23,29H,5-8,10,12-16,18H2,1-4H3/b11-9+,20-17-/t19-,21-,22-,23+,26+/m0/s1
InChIKeyORRFIXSGNXBETO-WQNYIDMUSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Malyngamide I (CHEBI:192217) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E,7S)-N-[(Z)-3-chloro-2-[(1R,3S,4S,6R)-4-hydroxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide
Manual XrefsDatabases
8871558ChemSpider