CHEBI:211655 - Isomalyngamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isomalyngamide A
ChEBI ID CHEBI:211655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H45ClN2O6
Net Charge 0
Average Mass 553.140
Monoisotopic Mass 552.29661
InChI InChI=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
InChIKey MCGPGUSLTPAGCR-DINDZMPHSA-N
SMILES Cl/C=C(\CN(C(=O)CC/C=C/C[C@@H](OC)CCCCCCC)C)/C/C(/OC)=C\C(=O)N1C(=O)C=C(C1)OC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
8801916 ChemSpider
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