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CHEBI:223807 - Isomalyngamide B

ChEBI IDCHEBI:223807
ChEBI NameIsomalyngamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H45ClN2O6
Net Charge0
Average Mass541.129
Monoisotopic Mass540.29661
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)N1C[C@H](O)CC1=O)OC)OC
InChIInChI=1S/C28H45ClN2O6/c1-5-6-7-8-10-13-24(36-3)14-11-9-12-15-26(33)30(2)20-22(19-29)16-25(37-4)18-28(35)31-21-23(32)17-27(31)34/h9,11,18-19,23-24,32H,5-8,10,12-17,20-21H2,1-4H3/b11-9+,22-19-,25-18+/t23-,24+/m1/s1
InChIKeyLCTQNEJUQPJWPJ-SNIFNUAYSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11141095)
ChEBI Ontology
Outgoing Relation(s)
Isomalyngamide B (CHEBI:223807) is a N-acylpyrrolidine (CHEBI:46766)
IUPAC Name 
(E,7S)-N-[(E,2Z)-2-(chloromethylidene)-6-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-methoxy-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide
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