Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027453
PROPERTIES
| NPAID | NPA027453 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Minutissamide H |
| FORMULA | C60H102N12O16 |
| MOLECULAR WEIGHT (Da) | 1247.5440 |
| ACCURATE MASS (Da) | 1246.7537 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. UIC 10035 |
| InChIKey | ATLSVDMFFMPPRZ-RAQHCFLESA-N |
| InChI | InChI=1S/C60H102N12O16/c1-13-24-38(74)26-22-20-18-16-15-17-19-21-25-34(7)47-50(77)58(85)67-45(32(3)4)55(82)64-39(14-2)52(79)66-46(33(5)6)56(83)69-48(36(9)73)57(84)65-40(28-29-43(61)75)53(80)63-35(8)51(78)70-49(37(10)88-12)60(87)71(11)42(31-44(62)76)59(86)72-30-23-27-41(72)54(81)68-47/h14,32-37,40-42,45-50,73,77H,13,15-31H2,1-12H3,(H2,61,75)(H2,62,76)(H,63,80)(H,64,82)(H,65,84)(H,66,79)(H,67,85)(H,68,81)(H,69,83)(H,70,78)/b39-14+/t34-,35+,36+,37+,40-,41-,42-,45-,46-,47+,48-,49-,50+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCCC(=O)CCC)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(C)C)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 |
