Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018013
PROPERTIES
| NPAID | NPA018013 |
|---|---|
| CLUSTER ID | 2425 |
| NODE ID | 1824 |
| NAME | Neoefrapeptin G |
| FORMULA | C58H95N13O15 |
| MOLECULAR WEIGHT (Da) | 1214.4740 |
| ACCURATE MASS (Da) | 1213.7071 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Geotrichum |
| ORIGIN SPECIES | candidum |
| InChIKey | ZVNLHTMZVCMKRM-BIZUUBGKSA-N |
| InChI | InChI=1S/C58H95N13O15/c1-14-57(13,66-46(80)39-23-17-20-30-71(39)51(85)55(9,10)65-44(78)37-21-15-18-28-69(37)35(4)72)49(83)67-54(7,8)48(82)62-36(31-34(2)3)43(77)59-27-24-40(73)60-32-41(74)63-58(25-26-58)50(84)68-56(11,12)52(86)70-29-19-16-22-38(70)45(79)64-53(5,6)47(81)61-33-42(75)76/h34,36-39H,14-33H2,1-13H3,(H,59,77)(H,60,73)(H,61,81)(H,62,82)(H,63,74)(H,64,79)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,75,76)/t36-,37-,38-,39?,57?/m0/s1 |
| SMILES | CCC(C)(C(=O)NC(C)(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)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 |
