Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010128615 | Gold | 3 |
COMPOUND NPA027454
PROPERTIES
| NPAID | NPA027454 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Minutissamide I |
| FORMULA | C58H98N12O17 |
| MOLECULAR WEIGHT (Da) | 1235.4890 |
| ACCURATE MASS (Da) | 1234.7173 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. UIC 10035 |
| InChIKey | AMMOFLIZXVOQED-SQXQCVBBSA-N |
| InChI | InChI=1S/C58H98N12O17/c1-11-22-36(73)24-20-18-16-14-13-15-17-19-23-32(5)45-49(77)56(84)65-44(31(3)4)53(81)62-37(12-2)51(79)67-47(34(7)72)55(83)68-46(33(6)71)54(82)63-38(26-27-41(59)74)50(78)61-30-43(76)64-48(35(8)87-10)58(86)69(9)40(29-42(60)75)57(85)70-28-21-25-39(70)52(80)66-45/h12,31-35,38-40,44-49,71-72,77H,11,13-30H2,1-10H3,(H2,59,74)(H2,60,75)(H,61,78)(H,62,81)(H,63,82)(H,64,76)(H,65,84)(H,66,80)(H,67,79)(H,68,83)/b37-12+/t32-,33+,34+,35+,38-,39-,40-,44-,45+,46-,47-,48-,49+/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)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 |
