Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002448
PROPERTIES
| NPAID | NPA002448 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Tolaasin C |
| FORMULA | C94H165N21O26 |
| MOLECULAR WEIGHT (Da) | 2005.4750 |
| ACCURATE MASS (Da) | 2004.2235 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tolaasii |
| InChIKey | UGYMVVYXANRMNC-QYJGSTTLSA-N |
| InChI | InChI=1S/C94H165N21O26/c1-21-25-26-30-56(120)44-70(122)98-58(24-4)93(139)115-39-29-32-68(115)86(132)107-66(45-117)84(130)105-64(42-48(7)8)82(128)110-72(51(13)14)89(135)108-67(46-118)85(131)106-65(43-49(9)10)83(129)111-74(53(17)18)90(136)112-73(52(15)16)88(134)101-59(33-34-69(97)121)78(124)104-63(41-47(5)6)81(127)109-71(50(11)12)87(133)99-57(23-3)77(123)114-76(55(20)119)92(138)113-75(54(19)22-2)91(137)102-61(36-40-116)80(126)100-60(35-38-96)79(125)103-62(94(140)141)31-27-28-37-95/h23-24,47-56,59-68,71-76,116-120H,21-22,25-46,95-96H2,1-20H3,(H2,97,121)(H,98,122)(H,99,133)(H,100,126)(H,101,134)(H,102,137)(H,103,125)(H,104,124)(H,105,130)(H,106,131)(H,107,132)(H,108,135)(H,109,127)(H,110,128)(H,111,129)(H,112,136)(H,113,138)(H,114,123)(H,140,141)/b57-23-,58-24- |
| SMILES | CCCCCC(O)CC(=O)N\C(=C/C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N\C(=C/C)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CCO)C(=O)NC(CCN)C(=O)NC(CCCCN)C(O)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bassarello, Carla; Lazzaroni, Silvia; Bifulco, Giuseppe; Lo Cantore, Pietro; Iacobellis, Nicola S.; Riccio, Raffaele; Gomez-Paloma, Luigi; Evidente, Antonio Tolaasins A-E, five new lipodepsipeptides produced by Pseudomonas tolaasii Journal of Natural Products 2004 67 (5) 811-816. | ||
|---|---|---|---|
| DOI | 10.1021/np0303557 | PMID | 15165142 |
