Nordysidenin (CHEBI:200112)

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CHEBI:200112 - Nordysidenin

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ChEBI ID	CHEBI:200112
ChEBI Name	Nordysidenin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H21Cl6N3O2S
Net Charge	0
Average Mass	532.148
Monoisotopic Mass	528.94856
SMILES	C[C@H](NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@H](C)C(Cl)(Cl)Cl)c1nccs1
InChI	InChI=1S/C16H21Cl6N3O2S/c1-8(15(17,18)19)6-11(25-12(26)7-9(2)16(20,21)22)13(27)24-10(3)14-23-4-5-28-14/h4-5,8-11H,6-7H2,1-3H3,(H,24,27)(H,25,26)/t8-,9-,10-,11-/m0/s1
InChIKey	JXAGQUPIAAXRDS-NAKRPEOUSA-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)
	Nordysidenin (CHEBI:200112) is a N-acyl-amino acid (CHEBI:51569)

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

Manual Xrefs	Databases
8896344	ChemSpider