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CHEBI:219557 - Weishanmycin A2

ChEBI IDCHEBI:219557
ChEBI NameWeishanmycin A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N2O3S2
Net Charge0
Average Mass472.676
Monoisotopic Mass472.18543
SMILESC=C1/C=C/C(CCC)=C\c2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC(=O)O)CCC(=C)[C@@H](C1)S2
InChIInChI=1S/C25H32N2O3S2/c1-5-6-19-8-7-16(2)11-21-17(3)9-10-25(32-21,14-23(29)30)13-22(28)26-18(4)24-27-20(12-19)15-31-24/h7-8,12,15,18,21H,2-3,5-6,9-11,13-14H2,1,4H3,(H,26,28)(H,29,30)/b8-7+,19-12-/t18-,21-,25+/m1/s1
InChIKeyKGMFJDKXPZXPNQ-KWULUAHZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB02120-2 (ncbitaxon:2020327) - PubMed (29229819)
ChEBI Ontology
Outgoing Relation(s)
Weishanmycin A2 (CHEBI:219557) is a organic heteromonocyclic ring (CHEBI:52849)
Weishanmycin A2 (CHEBI:219557) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
2-[(1S,5R,10Z,12E,16R)-5-methyl-14,17-dimethylidene-3-oxo-11-propyl-7,20-dithia-4,21-diazatricyclo[14.3.1.16,9]henicosa-6(21),8,10,12-tetraen-1-yl]acetic acid