| Name |
Pneumocandin D0 |
| Formula |
C50H80N8O18 |
| Mw |
1080.55905781 |
| CAS RN |
144087-99-0 |
| C_ID |
C00016645
, 
|
| InChIKey |
QDHVQAJPCGRBRI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C50H80N8O18/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-36(66)52-30-20-33(63)46(72)56-48(74)40-42(68)34(64)23-58(40)50(76)38(32(62)21-35(51)65)54-47(73)39(43(69)41(67)27-14-16-28(60)17-15-27)55-45(71)31-19-29(61)22-57(31)49(75)37(26(4)59)53-44(30)70/h14-17,24-26,29-34,37-43,46,59-64,67-69,72H,5-13,18-23H2,1-4H3,(H2,51,65)(H,52,66)(H,53,70)(H,54,73)(H,55,71)(H,56,74)/t24-,25-,26-,29-,30-,31-,32-,33+,34+,37-,38+,39-,40-,41+,42-,43-,46-/m0/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)CCCCCCCC[C@@H](C[C@H](CC)C)C)O)O)[C@H]([C@@H](C1)O)O)[C@@H](O)CC(=O)N)[C@@H]([C@H](O)c1ccc(cc1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Pro L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Zalerion arboricola ATCC 20957 | Ref. |
|
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