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CHEBI:219562 - Weishanmycin A3

Default Structure
ChEBI IDCHEBI:219562
ChEBI NameWeishanmycin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N2O5S2
Net Charge0
Average Mass506.690
Monoisotopic Mass506.19091
SMILESCCCC1=Cc2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC(=O)O)CC[C@](C)(O)[C@@H](C[C@]3(/C=C/1)CO3)S2
InChIInChI=1S/C25H34N2O5S2/c1-4-5-17-6-7-24(15-32-24)11-19-23(3,31)8-9-25(34-19,13-21(29)30)12-20(28)26-16(2)22-27-18(10-17)14-33-22/h6-7,10,14,16,19,31H,4-5,8-9,11-13,15H2,1-3H3,(H,26,28)(H,29,30)/b7-6+,17-10?/t16-,19-,23+,24-,25+/m1/s1
InChIKeyIDTARKSIKLAWCA-OBDKCKFXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB02120-2 (ncbitaxon:2020327) - PubMed (29229819)
ChEBI Ontology
Outgoing Relation(s)
Weishanmycin A3 (CHEBI:219562) is a organic heteromonocyclic ring (CHEBI:52849)
Weishanmycin A3 (CHEBI:219562) is a organosulfur heterocyclic compound (CHEBI:38106)