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CHEBI:232535 - MK-243

ChEBI IDCHEBI:232535
ChEBI NameMK-243
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC49H75NO13
Net Charge0
Average Mass886.133
Monoisotopic Mass885.52384
SMILES[H]/C1=C(\C)[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(NC)[C@]([H])(C)O3)[C@]([H])(C)O2)[C@@]([H])(C)/C([H])=C([H])\C([H])=C2\CO[C@@]3([H])[C@]2(O)[C@@]([H])(C=C(C)[C@@]3([H])O)C(=O)O[C@@]2([H])C[C@@]([H])(C1)O[C@@]1(C=C[C@]([H])(C)[C@@]([H])([C@@]([H])(C)CC)O1)C2
InChIInChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13-,28-16-,33-15-/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1
InChIKeyCXEGAUYXQAKHKJ-TUNJLRGHSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
MK-243 (CHEBI:232535) is a avermectin (CHEBI:50344)
Citations