CHEBI:224172 - Stevastelin A3

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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 A3
ChEBI ID CHEBI:224172
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H61N3O12S
Net Charge 0
Average Mass 735.930
Monoisotopic Mass 735.39760
InChI InChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27(39)22(4)30-23(5)31(40)36-28(21(2)3)32(41)37-29(24(6)49-50(44,45)46)33(42)35-26(34(43)48-30)20-47-25(7)38/h21-24,26-30,39H,8-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)(H,44,45,46)
InChIKey CJLJASOVVWRIFV-UHFFFAOYSA-N
SMILES S(=O)(=O)(OC(C1NC(=O)C(NC(=O)C(C)C(OC(C(NC1=O)COC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Stevastelin A3 (CHEBI:224172) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
[13-(3-hydroxyhexadecan-2-yl)-12-methyl-2,5,8,11-tetraoxo-9-propan-2-yl-6-(1-sulooxyethyl)-1-oxa-4,7,10-triazacyclotridec-3-yl]methyl acetate
Manual Xref Database
78444227 ChemSpider
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