Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030194
PROPERTIES
| NPAID | NPA030194 |
|---|---|
| CLUSTER ID | 1210 |
| NODE ID | 1029 |
| NAME | Thalassospiramide A6 |
| FORMULA | C55H81N7O13 |
| MOLECULAR WEIGHT (Da) | 1048.2890 |
| ACCURATE MASS (Da) | 1047.5892 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | sp. |
| InChIKey | NTODCGIPJCKNSL-LKXUYWNESA-N |
| InChI | InChI=1S/C55H81N7O13/c1-10-11-12-13-14-15-16-17-45(67)57-41(28-36-18-23-39(64)24-19-36)51(70)60-49(34(4)5)53(72)58-42(31-63)44(66)30-46(68)59-48(33(2)3)52(71)56-38-22-27-47(69)62(9)50(35(6)7)54(73)61(8)43(55(74)75-32-38)29-37-20-25-40(65)26-21-37/h15-16,18-27,33-35,38,41-44,48-50,63-66H,10-14,17,28-32H2,1-9H3,(H,56,71)(H,57,67)(H,58,72)(H,59,68)(H,60,70)/b16-15-,27-22+/t38-,41+,42+,43+,44+,48+,49+,50+/m1/s1 |
| SMILES | CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)OC1)C(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, W; Lu, L; Lai, Q; Zhu, B; Li, Z; Xu, Y; Shao, Z; Herrup, K; Moore, BS; Ross, AC; Qian, PY Family-wide Structural Characterization and Genomic Comparisons Decode the Diversity-oriented Biosynthesis of Thalassospiramides by Marine Proteobacteria. Journal of Biological Chemistry 2016 291 (53) 27228-27238. | ||
|---|---|---|---|
| DOI | 10.1074/jbc.M116.756858 | PMID | 27875306 |
