Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016878
PROPERTIES
| NPAID | NPA016878 |
|---|---|
| CLUSTER ID | 4181 |
| NODE ID | 3101 |
| NAME | Fijimycin C |
| FORMULA | C44H62N8O12 |
| MOLECULAR WEIGHT (Da) | 895.0240 |
| ACCURATE MASS (Da) | 894.4487 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | KDTSWOUKAXSMRA-BSRLCFGTSA-N |
| InChI | InChI=1S/C44H62N8O12/c1-23(2)18-29-42(61)52-20-28(54)19-31(52)43(62)49(7)21-33(56)50(8)36(25(5)24(3)4)40(59)47-30(22-53)41(60)51(9)37(27-14-11-10-12-15-27)44(63)64-26(6)34(38(57)46-29)48-39(58)35-32(55)16-13-17-45-35/h10-17,23-26,28-31,34,36-37,53-55H,18-22H2,1-9H3,(H,46,57)(H,47,59)(H,48,58)/t25?,26-,28-,29-,30+,31-,34+,36+,37+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@@H]2C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C3=CC=CC=C3)C)CO)C(C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, Peng; Maloney, Katherine N; Nam, Sang-Jip; Haste, Nina M; Raju, Ritesh; Aalbersberg, William; Jensen, Paul R; Nizet, Victor; Hensler, Mary E; Fenical, William Fijimycins A-C, three antibacterial etamycin-class depsipeptides from a marine-derived Streptomyces sp Bioorganic and Medicinal Chemistry 2011 19 (22) 6557-6562. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2011.06.053 | PMID | 21745747 |
