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CHEBI:220612 - Stevastelin D3

ChEBI IDCHEBI:220612
ChEBI NameStevastelin D3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H57N3O10S
Net Charge0
Average Mass675.886
Monoisotopic Mass675.37647
SMILESC=C1NC(=O)C(C(C)OS(=O)(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)C(C(C)C(O)CCCCCCCCCCCCC)OC1=O
InChIInChI=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)
InChIKeyZILRHQOCEUWYFR-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 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
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78444447ChemSpider