Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004692
PROPERTIES
| NPAID | NPA004692 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Tolaasin A |
| FORMULA | C91H155N21O26 |
| MOLECULAR WEIGHT (Da) | 1959.3620 |
| ACCURATE MASS (Da) | 1958.1452 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tolaasii |
| InChIKey | FLJZFCSEBDJGSB-QKYGQZSFSA-N |
| InChI | InChI=1S/C91H155N21O26/c1-20-51(18)72-88(134)99-57(34-38-113)77(123)97-56(33-36-93)76(122)100-58(27-23-24-35-92)91(137)138-52(19)73(89(135)110-72)111-74(120)53(21-2)96-84(130)68(47(10)11)106-78(124)59(39-44(4)5)101-75(121)55(31-32-65(94)116)98-85(131)70(49(14)15)109-87(133)71(50(16)17)108-80(126)61(41-46(8)9)103-82(128)63(43-115)105-86(132)69(48(12)13)107-79(125)60(40-45(6)7)102-81(127)62(42-114)104-83(129)64-28-26-37-112(64)90(136)54(22-3)95-66(117)29-25-30-67(118)119/h21-22,44-52,55-64,68-73,113-115H,20,23-43,92-93H2,1-19H3,(H2,94,116)(H,95,117)(H,96,130)(H,97,123)(H,98,131)(H,99,134)(H,100,122)(H,101,121)(H,102,127)(H,103,128)(H,104,129)(H,105,132)(H,106,124)(H,107,125)(H,108,126)(H,109,133)(H,110,135)(H,111,120)(H,118,119)/b53-21-,54-22- |
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)/C(=C/C)/NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)/C(=C/C)/NC(=O)CCCC(=O)O)C)CCCCN)CCN)CCO |
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 |
