Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027459
PROPERTIES
| NPAID | NPA027459 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Minutissamide F |
| FORMULA | C55H93ClN12O16 |
| MOLECULAR WEIGHT (Da) | 1213.8700 |
| ACCURATE MASS (Da) | 1212.6521 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. UIC 10035 |
| InChIKey | QDBDOUAQHHPCNC-SOYRVYTOSA-N |
| InChI | InChI=1S/C55H93ClN12O16/c1-12-33(56)21-18-16-14-15-17-20-28(5)41-45(73)53(81)62-40(27(3)4)50(78)60-34(13-2)47(75)64-43(31(8)70)52(80)65-42(30(7)69)51(79)61-35(23-24-38(57)71)48(76)59-29(6)46(74)66-44(32(9)84-11)55(83)67(10)37(26-39(58)72)54(82)68-25-19-22-36(68)49(77)63-41/h13,27-33,35-37,40-45,69-70,73H,12,14-26H2,1-11H3,(H2,57,71)(H2,58,72)(H,59,76)(H,60,78)(H,61,79)(H,62,81)(H,63,77)(H,64,75)(H,65,80)(H,66,74)/b34-13+/t28-,29+,30+,31+,32+,33?,35-,36-,37-,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)[C@@H](C)NC(=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 |
