Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011427
PROPERTIES
| NPAID | NPA011427 |
|---|---|
| CLUSTER ID | 4416 |
| NODE ID | 3244 |
| NAME | Totopotensamide B |
| FORMULA | C45H72ClN7O14 |
| MOLECULAR WEIGHT (Da) | 970.5590 |
| ACCURATE MASS (Da) | 969.4826 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 1053U.I.1a.1b |
| InChIKey | LACOKYPQGAPLII-HYZVQEKKSA-N |
| InChI | InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25-,26+,27+,34-,35+,36+,37+,38+,39-/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)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 |
