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CHEBI:211655 - Isomalyngamide A

ChEBI IDCHEBI:211655
ChEBI NameIsomalyngamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45ClN2O6
Net Charge0
Average Mass553.140
Monoisotopic Mass552.29661
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC
InChIInChI=1S/C29H45ClN2O6/c1-6-7-8-9-11-14-24(36-3)15-12-10-13-16-27(33)31(2)21-23(20-30)17-25(37-4)18-28(34)32-22-26(38-5)19-29(32)35/h10,12,18-20,24H,6-9,11,13-17,21-22H2,1-5H3/b12-10+,23-20-,25-18+/t24-/m0/s1
InChIKeyMCGPGUSLTPAGCR-DINDZMPHSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11141095)
ChEBI Ontology
Outgoing Relation(s)
Isomalyngamide A (CHEBI:211655) is a fatty amide (CHEBI:29348)
IUPAC Name 
(E,7S)-N-[(E,2Z)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide
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8801916ChemSpider