Stevastelin E3 (CHEBI:220618)

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CHEBI:220618 - Stevastelin E3

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ChEBI ID	CHEBI:220618
ChEBI Name	Stevastelin E3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H57N3O7
Net Charge	0
Average Mass	595.822
Monoisotopic Mass	595.41965
SMILES	C=C1NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(C(C)C(O)CCCCCCCCCCCCC)OC1=O
InChI	InChI=1S/C32H57N3O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-25(37)21(4)28-22(5)29(38)34-26(20(2)3)30(39)35-27(24(7)36)31(40)33-23(6)32(41)42-28/h20-22,24-28,36-37H,6,8-19H2,1-5,7H3,(H,33,40)(H,34,38)(H,35,39)
InChIKey	PQPBSHSHOPBRGI-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies (ncbitaxon:5081)	-	PubMed (8968400)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Stevastelin E3 (CHEBI:220618) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
6-(1-hydroxyethyl)-13-(3-hydroxyhexadecan-2-yl)-12-methyl-3-methylidene-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Manual Xrefs	Databases
78444448	ChemSpider