CHEBI:220618 - Stevastelin E3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stevastelin E3
ChEBI ID CHEBI:220618
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H57N3O7
Net Charge 0
Average Mass 595.822
Monoisotopic Mass 595.41965
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
SMILES O=C1OC(C(C(=O)NC(C(C)C)C(NC(C(NC1=C)=O)C(O)C)=O)C)C(C(O)CCCCCCCCCCCCC)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
78444448 ChemSpider
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