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CHEBI:224172 - Stevastelin A3

ChEBI IDCHEBI:224172
ChEBI NameStevastelin A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H61N3O12S
Net Charge0
Average Mass735.938
Monoisotopic Mass735.39760
SMILESCCCCCCCCCCCCCC(O)C(C)C1OC(=O)C(COC(C)=O)NC(=O)C(C(C)OS(=O)(=O)O)NC(=O)C(C(C)C)NC(=O)C1C
InChIInChI=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)
InChIKeyCJLJASOVVWRIFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (8968400)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78444227ChemSpider