| Name |
Esperamicin A1 |
| Formula |
C57H76N4O22S4 |
| Mw |
1296.38340306 |
| CAS RN |
152130-63-7 |
| C_ID |
C00016162
, 
|
| InChIKey |
KUWYWVUNFKWNCB-JBCPQGIFNA-N |
| InChICode |
InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-23-35(62)51(84-11)29(3)77-43)48(64)50(81-41-24-37(71-7)34(58-5)26-75-41)55(78-27)80-36-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(36)46(60-56(68)74-10)49(65)52(57)82-42-25-40(47(63)28(2)76-42)79-54(67)31-21-38(72-8)39(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-37,40-43,45,47-48,50-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)/b14-13-,32-18+/t27-,28+,29-,34+,35-,36+,37+,40+,41-,42+,43+,45+,47-,48-,50-,51+,52+,55+,57-/m0/s1 |
| SMILES |
C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC1CC(OC2C(=O)C(NC(=O)OC)=C3/C(=CCSSSC)C2(O)C#C/C=CC#CC3OC2OC(C)C(NOC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NC)CO2)OC(C)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr L-Lys Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Thermomonosporaceae | Actinomadura verrucosospora ATCC 39334 | Ref. |
|
|
zoom in
| Organism | Actinomadura verrucosospora ATCC 39334 |
|---|
| Reference | Lam,J.Antibiotics 48,(1995),1497 |
|---|
|
