Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010618
PROPERTIES
| NPAID | NPA010618 |
|---|---|
| CLUSTER ID | 2425 |
| NODE ID | 1824 |
| NAME | Neoefrapeptin H |
| FORMULA | C59H97N13O15 |
| MOLECULAR WEIGHT (Da) | 1228.5010 |
| ACCURATE MASS (Da) | 1227.7227 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Geotrichum |
| ORIGIN SPECIES | candidum |
| InChIKey | HEESDQJBDWZEDS-VGTOESSISA-N |
| InChI | InChI=1S/C59H97N13O15/c1-14-57(12,69-50(84)58(13,15-2)67-47(81)40-24-18-21-31-72(40)52(86)55(8,9)66-45(79)38-22-16-19-29-70(38)36(5)73)49(83)63-37(32-35(3)4)44(78)60-28-25-41(74)61-33-42(75)64-59(26-27-59)51(85)68-56(10,11)53(87)71-30-20-17-23-39(71)46(80)65-54(6,7)48(82)62-34-43(76)77/h35,37-40H,14-34H2,1-13H3,(H,60,78)(H,61,74)(H,62,82)(H,63,83)(H,64,75)(H,65,80)(H,66,79)(H,67,81)(H,68,85)(H,69,84)(H,76,77)/t37-,38-,39-,40?,57?,58?/m0/s1 |
| SMILES | CCC(C)(C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCC(=O)NC1(CC1)C(=O)NC(C)(C)C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)O)NC(=O)C(C)(CC)NC(=O)C3CCCCN3C(=O)C(C)(C)NC(=O)[C@@H]4CCCCN4C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fredenhagen, Andreas; Molleyres, Louis-Pierre; Böhlendorf, Bettina; Laue, Grit Structure Determination of Neoefrapeptins A to N: Peptides with Insecticidal Activity Produced by the Fungus Geotrichum candidum Journal of Antibiotics 2006 59 (5) 267-280. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2006.38 | PMID | 16883776 |
