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CHEBI:226395 - Vatiamide A

ChEBI IDCHEBI:226395
ChEBI NameVatiamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38ClNO4
Net Charge0
Average Mass488.068
Monoisotopic Mass487.24894
SMILESC#CCCCC(=CCl)CC[C@@H](C)C=CCCC(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C28H38ClNO4/c1-6-7-8-12-24(21-29)15-14-22(2)11-9-10-13-27(31)30(3)26(28(32)34-5)20-23-16-18-25(33-4)19-17-23/h1,9,11,16-19,21-22,26H,7-8,10,12-15,20H2,2-5H3/t22-,26-/m0/s1
InChIKeyIJZRVDQHULAERX-NVQXNPDNSA-N
Species of MetaboliteComponentSourceComments
Ianmoorea (ncbitaxon:619344) - PubMed (31071229)
ChEBI Ontology
Outgoing Relation(s)
Vatiamide A (CHEBI:226395) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
methyl (2S)-2-[[(6R)-9-(chloromethylidene)-6-methyltetradec-4-en-13-ynoyl]-methylamino]-3-(4-methoxyphenyl)propanoate