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CHEBI:189706 - dysidenin

ChEBI IDCHEBI:189706
ChEBI Namedysidenin
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of (4S)-5,5,5-trichloro-N-methyl-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucine with the amino group of (1S)-1-(1,3-thiazol-2-yl)ethanamine. It is a marine metabolite initially isolated from the sponge dysidea herbacea.
Last Modified26 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC17H23Cl6N3O2S
Net Charge0
Average Mass546.175
Monoisotopic Mass542.96421
SMILESC[C@H](NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)c1nccs1
InChIInChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1
InChIKeyBFVRAKVNXYQMID-BJDJZHNGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Dysidea (ncbitaxon:190526) - PubMed (33265937) Strain: 256
Dysidea herbacea (WORMS:220470) - DOI (10.1016/S0040-4039(01)83192-0)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
dysidenin (CHEBI:189706) has role animal metabolite (CHEBI:75767)
dysidenin (CHEBI:189706) has role marine metabolite (CHEBI:76507)
dysidenin (CHEBI:189706) has role toxin (CHEBI:27026)
dysidenin (CHEBI:189706) is a 1,3-thiazoles (CHEBI:38418)
dysidenin (CHEBI:189706) is a organochlorine compound (CHEBI:36683)
dysidenin (CHEBI:189706) is a secondary carboxamide (CHEBI:140325)
dysidenin (CHEBI:189706) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(4S)-5,5,5-trichloro-N2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-N2-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucinamide
Synonyms  Source
(−)-dysideninChEBI
(2S,4S)-5,5,5-trichloro-4-methyl-2-{methyl[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino}-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamideIUPAC
Manual XrefsDatabases
DysideninWikipedia
C00028226KNApSAcK
8183181ChemSpider
Registry NumbersSources
CAS:65647-65-6ChemIDplus
Citations