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CHEBI:223368 - Dotriacolide

ChEBI IDCHEBI:223368
ChEBI NameDotriacolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76O18S4
Net Charge0
Average Mass973.298
Monoisotopic Mass972.39145
SMILESC[C@@H](CCCCCCC[C@@H]1C[C@@H](OS(=O)(=O)O)CCCCCCCCCCC[C@@H](OS(=O)(=O)O)C[C@H](OS(=O)(=O)O)CCCCCCCCCCC/C=C\C(=O)O1)OS(=O)(=O)O
InChIInChI=1S/C40H76O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b32-26-/t35-,36+,37-,38+,39+/m0/s1
InChIKeyYIIKXRWDWWBASM-LIRDEXRUSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (6977522)
ChEBI Ontology
Outgoing Relation(s)
Dotriacolide (CHEBI:223368) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4S,16R,18R,30E)-32-oxo-4,18-disulooxy-2-[(8S)-8-sulooxynonyl]-1-oxacyclodotriacont-30-en-16-yl] hydrogen sulate
Manual XrefsDatabases
78443084ChemSpider