Stevastelin-C3 (CHEBI:214928)

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CHEBI:214928 - Stevastelin-C3

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ChEBI ID	CHEBI:214928
ChEBI Name	Stevastelin-C3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H59N3O8
Net Charge	0
Average Mass	613.837
Monoisotopic Mass	613.43022
SMILES	CCCCCCCCCCCCCC(O)C(C)C1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C1C
InChI	InChI=1S/C32H59N3O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-25(38)21(4)28-22(5)29(39)34-26(20(2)3)30(40)35-27(23(6)37)31(41)33-24(19-36)32(42)43-28/h20-28,36-38H,7-19H2,1-6H3,(H,33,41)(H,34,39)(H,35,40)
InChIKey	OINJAWBNQGRETE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies (ncbitaxon:5081)	-	PubMed (8002401)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Stevastelin-C3 (CHEBI:214928) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
78444306	ChemSpider