| Name |
Aculeacin A |
| Formula |
C50H81N7O16 |
| Mw |
1035.57397959 |
| CAS RN |
58814-86-1 |
| C_ID |
C00016077
, 
|
| InChIKey |
YKPHLXGEPNYRPY-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C50H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(63)51-33-24-35(62)46(69)55-48(71)40-41(64)27(2)25-57(40)50(73)38(29(4)59)53-47(70)39(43(66)42(65)30-19-21-31(60)22-20-30)54-45(68)34-23-32(61)26-56(34)49(72)37(28(3)58)52-44(33)67/h19-22,27-29,32-35,37-43,46,58-62,64-66,69H,5-18,23-26H2,1-4H3,(H,51,63)(H,52,67)(H,53,70)(H,54,68)(H,55,71)/t27-,28-,29-,32+,33-,34+,35-,37-,38+,39-,40-,41-,42-,43+,46+/m1/s1 |
| SMILES |
[C@H]1(CN2[C@@H](C1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1[C@@H](C(=O)N[C@H]([C@@H](C[C@H](C(=O)N[C@@H](C2=O)[C@@H](C)O)NC(=O)CCCCCCCCCCCCCCC)O)O)[C@@H]([C@@H](C1)C)O)[C@H](O)C)[C@H](O)[C@H](O)c1ccc(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Trichocomaceae | Aspergillus aculeatus M-4214 | Ref. |
|
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