CHEBI:220612 - Stevastelin D3

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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 D3
ChEBI ID CHEBI:220612
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H57N3O10S
Net Charge 0
Average Mass 675.880
Monoisotopic Mass 675.37647
InChI InChI=1S/C32H57N3O10S/c1-8-9-10-11-12-13-14-15-16-17-18-19-25(36)21(4)28-22(5)29(37)34-26(20(2)3)30(38)35-27(24(7)45-46(41,42)43)31(39)33-23(6)32(40)44-28/h20-22,24-28,36H,6,8-19H2,1-5,7H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42,43)
InChIKey ZILRHQOCEUWYFR-UHFFFAOYSA-N
SMILES S(=O)(=O)(OC(C1NC(=O)C(NC(=O)C(C)C(OC(C(NC1=O)=C)=O)C(C(O)CCCCCCCCCCCCC)C)C(C)C)C)O
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 D3 (CHEBI:220612) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
1-[13-(3-hydroxyhexadecan-2-yl)-12-methyl-3-methylidene-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl hydrogen sulate
Manual Xref Database
78444447 ChemSpider
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