CHEBI:212690 - Columbamide B

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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 Columbamide B
ChEBI ID CHEBI:212690
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H40Cl3NO4
Net Charge 0
Average Mass 500.930
Monoisotopic Mass 499.20229
InChI InChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1
InChIKey JBEYLLUXESVNSE-QOZDHKFNSA-N
SMILES ClC(Cl)CCCCCC(Cl)CCCC/C=C/CCC(=O)N([C@H](COC(=O)C)COC)C
Metabolite of Species Details
Moorena bouillonii (NCBI:txid207920) See: PubMed
ChEBI Ontology
Outgoing Columbamide B (CHEBI:212690) is a fatty amide (CHEBI:29348)
IUPAC Name
[(2S)-3-methoxy-2-[methyl-[(E)-10,16,16-trichlorohexadec-4-enoyl]amino]propyl] acetate
Manual Xref Database
35517165 ChemSpider
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