Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577783 | Gold | 3 |
COMPOUND NPA001551
PROPERTIES
| NPAID | NPA001551 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Somamide B |
| FORMULA | C46H62N8O12 |
| MOLECULAR WEIGHT (Da) | 919.0460 |
| ACCURATE MASS (Da) | 918.4487 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | QNGONASSDVVIFN-UAMDCIPZSA-N |
| InChI | InChI=1S/C46H62N8O12/c1-7-12-36(57)48-31(19-21-35(47)56)41(60)52-39-26(5)66-46(65)38(25(3)4)51-42(61)33(23-28-15-17-29(55)18-16-28)53(6)45(64)34(24-27-13-10-9-11-14-27)54-37(58)22-20-32(44(54)63)50-40(59)30(8-2)49-43(39)62/h8-11,13-18,25-26,31-34,37-39,55,58H,7,12,19-24H2,1-6H3,(H2,47,56)(H,48,57)(H,49,62)(H,50,59)(H,51,61)(H,52,60)/b30-8-/t26-,31+,32+,33+,34+,37-,38+,39+/m1/s1 |
| SMILES | CCCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)/C(=C/C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C |
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 |
