Pseudodysidenin (CHEBI:210884)

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CHEBI:210884 - Pseudodysidenin

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ChEBI ID	CHEBI:210884
ChEBI Name	Pseudodysidenin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H23Cl6N3O2S
Net Charge	0
Average Mass	546.175
Monoisotopic Mass	542.96421
SMILES	C[C@@H](c1nccs1)N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@H](C)C(Cl)(Cl)Cl
InChI	InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11-,12-/m0/s1
InChIKey	MBVQTLXBQHZLRO-BJDJZHNGSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	DOI (10.1021/np000462q)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Pseudodysidenin (CHEBI:210884) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2S,4S)-5,5,5-trichloro-N,4-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide

Manual Xrefs	Databases
8920481	ChemSpider