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CHEBI:226416 - Vatiamide E

ChEBI IDCHEBI:226416
ChEBI NameVatiamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40ClN3O3
Net Charge0
Average Mass466.066
Monoisotopic Mass465.27582
SMILESC#CCCCC(=CCl)CC[C@@H](C)C=CCCC(=O)N[C@H](C)C(=O)N(C)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C25H40ClN3O3/c1-7-8-9-13-21(17-26)16-15-19(4)12-10-11-14-22(30)28-20(5)25(32)29(6)23(18(2)3)24(27)31/h1,10,12,17-20,23H,8-9,11,13-16H2,2-6H3,(H2,27,31)(H,28,30)/t19-,20+,23-/m0/s1
InChIKeyZLFSNAGNVUVFPM-MZKRTTBSSA-N
Species of MetaboliteComponentSourceComments
Ianmoorea (ncbitaxon:619344) - PubMed (31071229)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Vatiamide E (CHEBI:226416) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(6R)-N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxopropan-2-yl]-9-(chloromethylidene)-6-methyltetradec-4-en-13-ynamide