| Name |
Echinocandin B |
| Formula |
C52H81N7O16 |
| Mw |
1059.57397959 |
| CAS RN |
54651-05-7 |
| C_ID |
C00016078
, 
|
| InChIKey |
FAUOJMHVEYMQQG-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9+,13-12+/t29-,30+,31+,34-,35+,36+,37+,39+,40-,41-,42-,43-,44-,45-,48-/m1/s1 |
| SMILES |
CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Trichocomaceae | Aspergillus nidulans | Ref. |
|
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