AS-I toxin (CHEBI:206449)

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CHEBI:206449 - AS-I toxin

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ChEBI ID	CHEBI:206449
ChEBI Name	AS-I toxin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26N4O8
Net Charge	0
Average Mass	390.393
Monoisotopic Mass	390.17506
SMILES	CC(C)C(NC(=O)C(N)CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O
InChI	InChI=1S/C15H26N4O8/c1-7(2)12(19-13(24)8(16)6-20)14(25)17-5-10(21)18-9(15(26)27)3-4-11(22)23/h7-9,12,20H,3-6,16H2,1-2H3,(H,17,25)(H,18,21)(H,19,24)(H,22,23)(H,26,27)
InChIKey	BUADZOJMDKUNMV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Alternaria alternata (ncbitaxon:5599)	-	DOI (10.1016/s0031-9422(96)00789-3)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	AS-I toxin (CHEBI:206449) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]pentanedioic acid

Manual Xrefs	Databases
16703451	ChemSpider
HMDB0302163	HMDB