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CHEBI:223560 - Stevastelin A

ChEBI IDCHEBI:223560
ChEBI NameStevastelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H61N3O12S
Net Charge0
Average Mass735.938
Monoisotopic Mass735.39760
SMILESCCCCCCCCCCCCCC1OC(=O)[C@H](COC(C)=O)NC(=O)[C@H]([C@@H](C)OS(=O)(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C(C)C(O)C1C
InChIInChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27-22(4)30(39)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)48-27)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)/t22?,23?,24-,26+,27?,28+,29+,30?/m1/s1
InChIKeyVUMYBJFFBNXPOV-CSFMTDHRSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (8698640)
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 A (CHEBI:223560) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(3S,6S,9S)-13-hydroxy-12,14-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-6-[(1R)-1-sulooxyethyl]-15-tridecyl-1-oxa-4,7,10-triazacyclopentadec-3-yl]methyl acetate
Manual XrefsDatabases
8638100ChemSpider