CHEBI:189706 - dysidenin

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ChEBI Name dysidenin
ChEBI ID CHEBI:189706
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Adnan
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Formula C17H23Cl6N3O2S
Net Charge 0
Average Mass 546.150
Monoisotopic Mass 542.96421
InChI InChI=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
InChIKey BFVRAKVNXYQMID-BJDJZHNGSA-N
SMILES C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)C1=NC=CS1)C(Cl)(Cl)Cl
Metabolite of Species Details
Dysidea (NCBI:txid190526) of strain 256 See: PubMed
Dysidea herbacea (WORMS:220470) See: DOI
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
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ChEBI Ontology
Outgoing 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 Sources
(−)-dysidenin ChEBI
(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]pentanamide IUPAC
Manual Xrefs Databases
8183181 ChemSpider
C00028226 KNApSAcK
Dysidenin Wikipedia
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Registry Number Type Source
65647-65-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10650102 PubMed citation Europe PMC
10990437 PubMed citation Europe PMC
11575943 PubMed citation Europe PMC
12488351 PubMed citation Europe PMC
2157965 PubMed citation Europe PMC
21698777 PubMed citation Europe PMC
33265937 PubMed citation Europe PMC
34940697 PubMed citation Europe PMC
8070394 PubMed citation Europe PMC
9382940 PubMed citation Europe PMC
Last Modified
26 May 2022