CHEBI:200616 - Malyngamide U

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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 U
ChEBI ID CHEBI:200616
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H39NO5
Net Charge 0
Average Mass 409.567
Monoisotopic Mass 409.28282
InChI InChI=1S/C23H39NO5/c1-5-6-8-11-18(28-3)12-9-7-10-13-21(26)24-16-20(29-4)22-19(25)15-14-17(2)23(22)27/h7,9,14,18-20,22,25H,5-6,8,10-13,15-16H2,1-4H3,(H,24,26)/b9-7+/t18-,19-,20+,22-/m0/s1
InChIKey CERISUFCIISKED-GHCVQRJKSA-N
SMILES O=C1C(=CC[C@@H]([C@H]1[C@H](OC)CNC(=O)CC/C=C/C[C@@H](OC)CCCCC)O)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
ChEBI Ontology
Outgoing Malyngamide U (CHEBI:200616) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(E,7S)-N-[(2S)-2-[(1S,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide
Manual Xref Database
552817 ChemSpider
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