Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012464
PROPERTIES
| NPAID | NPA012464 |
|---|---|
| CLUSTER ID | 4678 |
| NODE ID | 3405 |
| NAME | Homodolastatin 3 |
| FORMULA | C30H42N8O6S2 |
| MOLECULAR WEIGHT (Da) | 674.8500 |
| ACCURATE MASS (Da) | 674.2669 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | MQRGSRJNNVRQHQ-UNKLHJSVSA-N |
| InChI | InChI=1S/C30H42N8O6S2/c1-5-16(4)24-30(44)38-10-6-7-21(38)28(43)35-18(11-15(2)3)26(41)34-17(8-9-22(31)39)29-36-19(14-46-29)25(40)32-12-23-33-20(13-45-23)27(42)37-24/h13-18,21,24H,5-12H2,1-4H3,(H2,31,39)(H,32,40)(H,34,41)(H,35,43)(H,37,42)/t16?,17-,18-,21-,24-/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CS3)C(=O)NCC4=NC(=CS4)C(=O)N1)CCC(=O)N)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mitchell, Scott S.; Faulkner, D. John; Rubins, Kathleen; Bushman, Frederic D. Dolastatin 3 and two novel cyclic peptides from a palauan collection of Lyngbya majuscula Journal of Natural Products 2000 63 (2) 279-282. | ||
|---|---|---|---|
| DOI | 10.1021/np990353f | PMID | 10691729 |
