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CHEBI:188871 - sintokamide A

ChEBI IDCHEBI:188871
ChEBI Namesintokamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25Cl5N2O4
Net Charge0
Average Mass510.673
Monoisotopic Mass508.02570
SMILESCCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)Cl
InChIInChI=1S/C18H25Cl5N2O4/c1-5-14(26)24-11(7-10(3)18(21,22)23)17(28)25-12(6-9(2)16(19)20)13(29-4)8-15(25)27/h8-12,16H,5-7H2,1-4H3,(H,24,26)/t9-,10-,11+,12-/m0/s1
InChIKeyBOAGQOUETKWYRA-YFKTTZPYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sintokamide A (CHEBI:188871) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-[(2R,4S)-5,5,5-trichloro-1-[(2S)-2-[(2S)-3,3-dichloro-2-methylpropyl]-3-methoxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
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27023396ChemSpider