input word = C00016389

Metabolite InformationStructural formula
Name Cymbimicin A
Formula C59H92N2O14
Mw 1052.65485566
CAS RN 200563-97-9
C_ID C00016389 ,
InChIKey OTPHGOIPHMPUPP-IUECHDAENA-N
InChICode InChI=1S/C59H92N2O14/c1-14-46(52(64)38(6)22-18-19-26-44-31-45(70-11)33-59(72-13,75-44)30-29-36(4)21-20-25-43-34-73-41(9)58(10,69)54(43)65)47(62)28-27-37(5)48(63)32-49(71-12)39(7)55(66)60-50(35(2)3)56(67)61-51-40(8)53(74-57(51)68)42-23-16-15-17-24-42/h15-27,35,38-41,43-54,62-65,69H,14,28-34H2,1-13H3,(H,60,66)(H,61,67)/b22-18+,25-20+,26-19+,36-21+,37-27+/t38-,39-,40+,41-,43-,44-,45-,46+,47+,48-,49+,50-,51+,52-,53+,54-,58+,59+/m1/s1
SMILES C(=O)([C@H](NC(=O)[C@@H]([C@H](C[C@H](/C(=C/C[C@@H]([C@@H]([C@@H]([C@@H](/C=C/C=C/[C@@H]1C[C@H](C[C@@](O1)(CC/C(=C/C=C/[C@@H]1CO[C@@H]([C@@]([C@@H]1O)(O)C)C)/C)OC)OC)C)O)CC)O)/C)O)OC)C)C(C)C)N[C@@H]1C(=O)O[C@@H]([C@H]1C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. A92-313709 Ref.
zoom in



OrganismMicromonospora sp. A92-313709
ReferenceFehr,J.Antibiotics 50,(1997),893