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CHEBI:226399 - Vatiamide B

ChEBI IDCHEBI:226399
ChEBI NameVatiamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37BrClNO4
Net Charge0
Average Mass566.964
Monoisotopic Mass565.15945
SMILESCOC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr
InChIInChI=1S/C28H37BrClNO4/c1-22(13-14-24(21-30)11-6-5-9-19-29)10-7-8-12-27(32)31(2)26(28(33)35-4)20-23-15-17-25(34-3)18-16-23/h7,10,15-18,21-22,26H,5-6,8,11-14,20H2,1-4H3/t22-,26-/m0/s1
InChIKeyHCSFEHTYSRHQQW-NVQXNPDNSA-N
Species of MetaboliteComponentSourceComments
Ianmoorea (ncbitaxon:619344) - PubMed (31071229)
ChEBI Ontology
Outgoing Relation(s)
Vatiamide B (CHEBI:226399) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
methyl (2S)-2-[[(6R)-14-bromo-9-(chloromethylidene)-6-methyltetradec-4-en-13-ynoyl]-methylamino]-3-(4-methoxyphenyl)propanoate