Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025024
PROPERTIES
| NPAID | NPA025024 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Gacamide A |
| FORMULA | C66H115N13O19 |
| MOLECULAR WEIGHT (Da) | 1394.7180 |
| ACCURATE MASS (Da) | 1393.8432 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens Pf0-1 |
| InChIKey | WTINGRXDSLFUKC-GGENCQROSA-N |
| InChI | InChI=1S/C66H115N13O19/c1-14-17-18-19-20-21-40(81)30-52(84)69-43(26-34(4)5)58(89)74-47(31-53(85)86)62(93)71-42(23-25-51(68)83)57(88)78-54(38(12)15-2)65(96)75-46(29-37(10)11)59(90)70-41(22-24-50(67)82)56(87)77-49-33-98-66(97)55(39(13)16-3)79-63(94)48(32-80)76-61(92)45(28-36(8)9)72-60(91)44(27-35(6)7)73-64(49)95/h34-49,54-55,80-81H,14-33H2,1-13H3,(H2,67,82)(H2,68,83)(H,69,84)(H,70,90)(H,71,93)(H,72,91)(H,73,95)(H,74,89)(H,75,96)(H,76,92)(H,77,87)(H,78,88)(H,79,94)(H,85,86)/t38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,48-,49-,54+,55+/m1/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H]1COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CC(C)C)CO)[C@@H](C)CC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jahanshah G; Yan Q; Gerhardt H; Pataj Z; Lämmerhofer M; Pianet I; Josten M; Sahl HG; Silby MW; Loper JE; Gross H Discovery of the Cyclic Lipopeptide Gacamide A by Genome Mining and Repair of the Defective GacA Regulator in Pseudomonas fluorescens Pf0-1. Journal of Natural Products 2019 82 (2) 301-308. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00747 | PMID | 30666877 |
