Kojistatin A (CHEBI:221617)

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CHEBI:221617 - Kojistatin A

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ChEBI ID	CHEBI:221617
ChEBI Name	Kojistatin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C17H32N4O5
Net Charge	0
Average Mass	372.466
Monoisotopic Mass	372.23727
SMILES	CCC(C)C(NC(=O)C1OC1C(=O)O)C(=O)NCCCCNCCCN
InChI	InChI=1S/C17H32N4O5/c1-3-11(2)12(21-16(23)13-14(26-13)17(24)25)15(22)20-10-5-4-8-19-9-6-7-18/h11-14,19H,3-10,18H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey	HUAJESHKPMHHPE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1271/bbb.60.1747)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Kojistatin A (CHEBI:221617) is a carboxylic acid (CHEBI:33575)
	Kojistatin A (CHEBI:221617) is a epoxide (CHEBI:32955)

IUPAC Name
3-[[1-[4-(3-aminopropylamino)butylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Manual Xrefs	Databases
78444217	ChemSpider