Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003415
PROPERTIES
| NPAID | NPA003415 |
|---|---|
| CLUSTER ID | 1210 |
| NODE ID | 1029 |
| NAME | Thalassospiramide E1 |
| FORMULA | C55H88N8O15 |
| MOLECULAR WEIGHT (Da) | 1101.3500 |
| ACCURATE MASS (Da) | 1100.6369 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | sp. CNJ-328 |
| InChIKey | VJUFIBLXDHQEPE-UALNUVPTSA-N |
| InChI | InChI=1S/C55H88N8O15/c1-11-12-13-14-15-16-17-18-43(69)59-48(32(4)5)52(74)57-38(28-64)42(68)27-46(72)62-49(33(6)7)53(75)58-39(29-65)41(67)26-45(71)61-47(31(2)3)51(73)56-36-21-24-44(70)60-50(34(8)9)54(76)63(10)40(55(77)78-30-36)25-35-19-22-37(66)23-20-35/h16-17,19-24,31-34,36,38-42,47-50,64-68H,11-15,18,25-30H2,1-10H3,(H,56,73)(H,57,74)(H,58,75)(H,59,69)(H,60,70)(H,61,71)(H,62,72)/b17-16-,24-21?/t36-,38+,39+,40+,41+,42+,47+,48+,49+,50+/m1/s1 |
| SMILES | CCCCCC/C=C\CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1COC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C=C1)C(C)C)C)CC2=CC=C(C=C2)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ross, Avena C.; Xu, Ying; Lu, Liang; Kersten, Roland D.; Shao, Zongze; Al-Suwailem, Abdulaziz M.; Dorrestein, Pieter C.; Qian, Pei-Yuan; Moore, Bradley S. Biosynthetic multitasking facilitates thalassospiramide structural diversity in marine bacteria Journal of the American Chemical Society 2013 135 (3) 1155-1162. | ||
|---|---|---|---|
| DOI | 10.1021/ja3119674 | PMID | 23270364 |
