Subenniatin A (CHEBI:203168)

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CHEBI:203168 - Subenniatin A

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ChEBI ID	CHEBI:203168
ChEBI Name	Subenniatin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H40N2O7
Net Charge	0
Average Mass	444.569
Monoisotopic Mass	444.28355
SMILES	CC(C)[C@@H](C(=O)O)N(C)C(=O)[C@H](OC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](O)C(C)C)C(C)C
InChI	InChI=1S/C22H40N2O7/c1-11(2)15(21(28)29)23(9)20(27)18(14(7)8)31-22(30)16(12(3)4)24(10)19(26)17(25)13(5)6/h11-18,25H,1-10H3,(H,28,29)/t15-,16+,17+,18+/m0/s1
InChIKey	DNNNUEHTBMXDJS-BSDSXHPESA-N

Species of Metabolite	Component	Source	Comments
Fusarium tricinctum (ncbitaxon:61284)	-	DOI (10.1016/j.tetlet.2013.03.005)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Subenniatin A (CHEBI:203168) is a depsipeptide (CHEBI:23643)

IUPAC Name
(2S)-2-[[(2R)-2-[(2R)-2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]-methylamino]-3-methylbutanoic acid

Manual Xrefs	Databases
78436968	ChemSpider