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CHEBI:216083 - Sirodesmin J

ChEBI IDCHEBI:216083
ChEBI NameSirodesmin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O8S3
Net Charge0
Average Mass518.635
Monoisotopic Mass518.08513
SMILESCC(=O)O[C@H]1[C@]2(O)C[C@]34SSS[C@](CO)(C(=O)N3[C@@H]2C[C@]12O[C@H](C)C(C)(C)C2=O)N(C)C4=O
InChIInChI=1S/C20H26N2O8S3/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,32-33-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1
InChIKeyYORDWFCXQCUPHI-OQIMMBKLSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/0031-9422(90)80017-b)
ChEBI Ontology
Outgoing Relation(s)
Sirodesmin J (CHEBI:216083) has functional parent α-amino acid (CHEBI:33704)
Sirodesmin J (CHEBI:216083) is a organonitrogen compound (CHEBI:35352)
Sirodesmin J (CHEBI:216083) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',15-tetramethyl-3',9,14-trioxospiro[11,12,13-trithia-8,15-diazatetracyclo[8.3.2.01,8.03,7]pentadecane-5,2'-oxolane]-4-yl] acetate
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