Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016767
PROPERTIES
| NPAID | NPA016767 |
|---|---|
| CLUSTER ID | 1210 |
| NODE ID | 1029 |
| NAME | Thalassospiramide F |
| FORMULA | C66H103N9O16 |
| MOLECULAR WEIGHT (Da) | 1278.5970 |
| ACCURATE MASS (Da) | 1277.7523 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | sp. CNJ-328 |
| InChIKey | RELOKUJTONFBEZ-FGVOTKTESA-N |
| InChI | InChI=1S/C66H103N9O16/c1-11-12-13-14-15-16-17-21-30-67-47(31-43-22-19-18-20-23-43)51(79)33-55(83)73-59(40(4)5)63(87)69-49(37-77)53(81)35-57(85)74-60(41(6)7)64(88)70-48(36-76)52(80)34-56(84)72-58(39(2)3)62(86)68-45-26-29-54(82)71-61(42(8)9)65(89)75(10)50(66(90)91-38-45)32-44-24-27-46(78)28-25-44/h16-20,22-29,39-42,45,47-53,58-61,67,76-81H,11-15,21,30-38H2,1-10H3,(H,68,86)(H,69,87)(H,70,88)(H,71,82)(H,72,84)(H,73,83)(H,74,85)/b17-16-,29-26?/t45-,47+,48+,49+,50+,51+,52+,53+,58+,59+,60+,61+/m1/s1 |
| SMILES | CCCCCC/C=C\CCN[C@@H](CC1=CC=CC=C1)[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](CO)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]2COC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C=C2)C(C)C)C)CC3=CC=C(C=C3)O)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 |
