Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027455
PROPERTIES
| NPAID | NPA027455 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Minutissamide J |
| FORMULA | C54H91ClN12O16 |
| MOLECULAR WEIGHT (Da) | 1199.8430 |
| ACCURATE MASS (Da) | 1198.6365 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. UIC 10035 |
| InChIKey | NIDDARZGUNVVRQ-ORFYYFLYSA-N |
| InChI | InChI=1S/C54H91ClN12O16/c1-11-32(55)20-17-15-13-14-16-19-28(5)41-45(73)52(80)62-40(27(3)4)49(77)59-33(12-2)47(75)64-43(30(7)69)51(79)65-42(29(6)68)50(78)60-34(22-23-37(56)70)46(74)58-26-39(72)61-44(31(8)83-10)54(82)66(9)36(25-38(57)71)53(81)67-24-18-21-35(67)48(76)63-41/h12,27-32,34-36,40-45,68-69,73H,11,13-26H2,1-10H3,(H2,56,70)(H2,57,71)(H,58,74)(H,59,77)(H,60,78)(H,61,72)(H,62,80)(H,63,76)(H,64,75)(H,65,79)/b33-12+/t28-,29+,30+,31+,32?,34-,35-,36-,40-,41+,42-,43-,44-,45+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCC(Cl)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kang HS; Sturdy M; Krunic A; Kim H; Shen Q; Swanson SM; Orjala J Minutissamides E-L, antiproliferative cyclic lipodecapeptides from the cultured freshwater cyanobacterium cf. Anabaena sp. Bioorganic and Medicinal Chemistry 2012 20 (20) 6134-6143. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2012.08.017 | PMID | 22980217 |
