Jomthonic acid E (CHEBI:214029)

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CHEBI:214029 - Jomthonic acid E

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ChEBI ID	CHEBI:214029
ChEBI Name	Jomthonic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H29NO6
Net Charge	0
Average Mass	403.475
Monoisotopic Mass	403.19949
SMILES	CC(/C=C/C(=O)NC(C(=O)OC(C)C(C)C(=O)O)C(C)c1ccccc1)=C\CO
InChI	InChI=1S/C22H29NO6/c1-14(12-13-24)10-11-19(25)23-20(16(3)18-8-6-5-7-9-18)22(28)29-17(4)15(2)21(26)27/h5-12,15-17,20,24H,13H2,1-4H3,(H,23,25)(H,26,27)/b11-10+,14-12+
InChIKey	KFJCKGHURGOYCG-CYZWUHAYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (30065171)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Jomthonic acid E (CHEBI:214029) is a depsipeptide (CHEBI:23643)

IUPAC Name
3-[2-[[(2E,4E)-6-hydroxy-4-methylhexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxy-2-methylbutanoic acid

Manual Xrefs	Databases
71048484	ChemSpider