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CHEBI:219552 - Weishanmycin A1

ChEBI IDCHEBI:219552
ChEBI NameWeishanmycin A1
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SubmitterMetaboLights
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FormulaC25H34N2O4S2
Net Charge0
Average Mass490.691
Monoisotopic Mass490.19600
SMILESC=C1/C=C/C(CCC)=Cc2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC(=O)O)CC[C@](C)(O)[C@@H](C1)S2
InChIInChI=1S/C25H34N2O4S2/c1-5-6-18-8-7-16(2)11-20-24(4,31)9-10-25(33-20,14-22(29)30)13-21(28)26-17(3)23-27-19(12-18)15-32-23/h7-8,12,15,17,20,31H,2,5-6,9-11,13-14H2,1,3-4H3,(H,26,28)(H,29,30)/b8-7+,18-12?/t17-,20-,24+,25+/m1/s1
InChIKeyAJDKITCLGCYCKZ-FLBOQRJTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB02120-2 (ncbitaxon:2020327) - PubMed (29229819)
ChEBI Ontology
Outgoing Relation(s)
Weishanmycin A1 (CHEBI:219552) is a organic heteromonocyclic ring (CHEBI:52849)
Weishanmycin A1 (CHEBI:219552) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
2-[(1S,5R,12E,16R,17S)-17-hydroxy-5,17-dimethyl-14-methylidene-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