Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014743
PROPERTIES
| NPAID | NPA014743 |
|---|---|
| CLUSTER ID | 4416 |
| NODE ID | 3244 |
| NAME | Totopotensamide A |
| FORMULA | C52H84ClN7O19 |
| MOLECULAR WEIGHT (Da) | 1146.7270 |
| ACCURATE MASS (Da) | 1145.5511 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 1053U.I.1a.1b |
| InChIKey | VQJONPIPGATABZ-QSPCRYKTSA-N |
| InChI | InChI=1S/C52H84ClN7O19/c1-13-21(3)37-48(73)54-18-35(67)55-26(8)38(49(74)60-40(51(76)58-37)30-16-32(65)24(6)42(69)36(30)53)59-47(72)27(9)56-50(75)39(28(10)62)57-34(66)17-31(64)22(4)14-20(2)15-23(5)41(68)25(7)45(29(11)63)79-52-44(71)43(70)46(77-12)33(19-61)78-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,65,68-71H,13-15,17-19H2,1-12H3,(H,54,73)(H,55,67)(H,56,75)(H,57,66)(H,58,76)(H,59,72)(H,60,74)/t20?,21-,22?,23-,25-,26+,27-,28+,29+,33+,37-,38+,39+,40+,41+,43+,44+,45-,46+,52-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@@H]([C@H](C(=O)N[C@@H](C(=O)N1)C2=CC(=C(C(=C2Cl)O)C)O)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)CC(=O)C(C)CC(C)C[C@H](C)[C@H]([C@H](C)[C@@H]([C@@H](C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC)O)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Zhenjian; Flores, Malem; Forteza, Imelda; Henriksen, Niel M.; Concepcion, Gisela P.; Rosenberg, Gary; Haygood, Margo G.; Olivera, Baldomero M.; Light, Alan R.; Cheatham, Thomas E.; Schmidt, Eric W. Totopotensamides, Polyketide-Cyclic Peptide Hybrids from a Mollusk-Associated Bacterium Streptomyces sp Journal of Natural Products 2012 75 (4) 644-649. | ||
|---|---|---|---|
| DOI | 10.1021/np200886x | PMID | 22439622 |
