CHEBI:187855 - Malyngamide K

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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 Malyngamide K
ChEBI ID CHEBI:187855
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38ClNO3
Net Charge 0
Average Mass 424.020
Monoisotopic Mass 423.25402
InChI InChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)/b9-7+,20-18-/t21-/m0/s1
InChIKey MFDHYPQDDSVRFS-KLNBHVKMSA-N
SMILES Cl/C=C(\C=1C(=O)CCCC1)/CNC(=O)CC\C=C\C[C@@H](OC)CCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Malyngamide K (CHEBI:187855) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(E,7S)-N-[(E)-3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide
Manual Xref Database
10470389 ChemSpider
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