Subenniatin B (CHEBI:220370)

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CHEBI:220370 - Subenniatin B

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ChEBI ID	CHEBI:220370
ChEBI Name	Subenniatin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H42N2O7
Net Charge	0
Average Mass	458.596
Monoisotopic Mass	458.29920
SMILES	CCC(C)[C@H](C(=O)O[C@@H](C(=O)N(C)[C@H](C(=O)O)C(C)C)C(C)C)N(C)C(=O)[C@H](O)C(C)C
InChI	InChI=1S/C23H42N2O7/c1-11-15(8)17(25(10)20(27)18(26)13(4)5)23(31)32-19(14(6)7)21(28)24(9)16(12(2)3)22(29)30/h12-19,26H,11H2,1-10H3,(H,29,30)/t15?,16-,17+,18+,19+/m0/s1
InChIKey	VDOZOEVUMVAFKG-LHSROCTLSA-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 B (CHEBI:220370) is a depsipeptide (CHEBI:23643)

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

Manual Xrefs	Databases
78437658	ChemSpider