Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723405 | Gold | 3 |
| CCMSLIB00005436083 | Gold | 3 |
| CCMSLIB00005436084 | Gold | 3 |
| CCMSLIB00005720212 | Gold | 3 |
| CCMSLIB00005720213 | Gold | 3 |
| CCMSLIB00005720214 | Gold | 3 |
| CCMSLIB00005723404 | Gold | 3 |
COMPOUND NPA027361
PROPERTIES
| NPAID | NPA027361 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Molassamide |
| FORMULA | C48H66N8O13 |
| MOLECULAR WEIGHT (Da) | 963.0990 |
| ACCURATE MASS (Da) | 962.4749 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Dichothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | KXSGCAPYMUMVSH-VFYPFKDGSA-N |
| InChI | InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gunasekera SP; Miller MW; Kwan JC; Luesch H; Paul VJ Molassamide, a depsipeptide serine protease inhibitor from the marine cyanobacterium Dichothrix utahensis. Journal of Natural Products 2010 73 (3) 459-462. | ||
|---|---|---|---|
| DOI | 10.1021/np900603f | PMID | 20020755 |
