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CHEBI:212701 - Columbamide A

ChEBI IDCHEBI:212701
ChEBI NameColumbamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H41Cl2NO4
Net Charge0
Average Mass466.490
Monoisotopic Mass465.24126
SMILESCOC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl
InChIInChI=1S/C23H41Cl2NO4/c1-20(27)30-19-22(18-29-3)26(2)23(28)16-12-7-5-4-6-10-14-21(25)15-11-8-9-13-17-24/h5,7,21-22H,4,6,8-19H2,1-3H3/b7-5+/t21?,22-/m0/s1
InChIKeyVFUSKSIAISUKGN-DUNCQPMOSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (26149623)
ChEBI Ontology
Outgoing Relation(s)
Columbamide A (CHEBI:212701) is a fatty amide (CHEBI:29348)
IUPAC Name 
[(2S)-2-[[(E)-10,16-dichlorohexadec-4-enoyl]-methylamino]-3-methoxypropyl] acetate
Manual XrefsDatabases
35517164ChemSpider