Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028823
PROPERTIES
| NPAID | NPA028823 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Somamide A |
| FORMULA | C48H67N7O12S |
| MOLECULAR WEIGHT (Da) | 966.1680 |
| ACCURATE MASS (Da) | 965.4568 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | YJIIXVAOLGKWSK-GOPLROGVSA-N |
| InChI | InChI=1S/C48H67N7O12S/c1-8-10-12-17-38(57)49-34(24-25-68(7)66)43(60)53-41-29(5)67-48(65)40(28(3)4)52-44(61)36(26-31-18-20-32(56)21-19-31)54(6)47(64)37(27-30-15-13-11-14-16-30)55-39(58)23-22-35(46(55)63)51-42(59)33(9-2)50-45(41)62/h9,11,13-16,18-21,28-29,34-37,39-41,56,58H,8,10,12,17,22-27H2,1-7H3,(H,49,57)(H,50,62)(H,51,59)(H,52,61)(H,53,60)/b33-9-/t29-,34?,35-,36-,37-,39+,40-,41-,68?/m0/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](NC(=O)C(CCS(C)=O)NC(=O)CCCCC)[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 | Nogle LM; Williamson RT; Gerwick WH Somamides A and B, two new depsipeptide analogues of dolastatin 13 from a Fijian cyanobacterial assemblage of Lyngbya majuscula and Schizothrix species. Journal of Natural Products 2001 64 (6) 716-719. | ||
|---|---|---|---|
| DOI | 10.1021/np000634j | PMID | 11421730 |
