Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027602
PROPERTIES
| NPAID | NPA027602 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Benderamide A |
| FORMULA | C43H57N5O7 |
| MOLECULAR WEIGHT (Da) | 755.9570 |
| ACCURATE MASS (Da) | 755.4258 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | UQBZXGHVULROAE-FSLOYXAOSA-N |
| InChI | InChI=1S/C43H57N5O7/c1-9-10-13-24-35-43(5,6)42(54)45-36(28(2)3)40(52)47(8)34(27-31-21-16-12-17-22-31)39(51)48-25-18-23-32(48)38(50)46(7)33(26-30-19-14-11-15-20-30)37(49)44-29(4)41(53)55-35/h1,11-12,14-17,19-22,28-29,32-36H,10,13,18,23-27H2,2-8H3,(H,44,49)(H,45,54)/t29?,32-,33-,34-,35-,36-/m0/s1 |
| SMILES | C#CCCC[C@@H]1OC(=O)C(C)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ding CYG; Ong JFM; Goh HC; Coffill CR; Tan LT Benderamide A, a Cyclic Depsipeptide from a Singapore Collection of Marine Cyanobacterium cf. Lyngbya sp. Marine Drugs 2018 16 (11) None. | ||
|---|---|---|---|
| DOI | 10.3390/md16110409 | PMID | 30373109 |
