CHEBI:214928 - Stevastelin-C3

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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-C3
ChEBI ID CHEBI:214928
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H59N3O8
Net Charge 0
Average Mass 613.837
Monoisotopic Mass 613.43022
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
SMILES O=C1OC(C(C(=O)NC(C(C)C)C(NC(C(NC1CO)=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-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 Xref Database
78444306 ChemSpider
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