Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001602 | Gold | 1!CCMSLIB00000001604 |
COMPOUND NPA007386
PROPERTIES
| NPAID | NPA007386 |
|---|---|
| CLUSTER ID | 1210 |
| NODE ID | 1029 |
| NAME | Thalassospiramide B |
| FORMULA | C56H83N7O13 |
| MOLECULAR WEIGHT (Da) | 1062.3160 |
| ACCURATE MASS (Da) | 1061.6049 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | sp. |
| InChIKey | CRQZWNMPCIFJKX-GAHHVCHBSA-N |
| InChI | InChI=1S/C56H83N7O13/c1-9-10-11-12-13-14-18-21-46(68)58-41(28-37-19-16-15-17-20-37)44(66)30-48(70)62-51(35(4)5)54(73)59-42(32-64)45(67)31-49(71)61-50(34(2)3)53(72)57-39-24-27-47(69)60-52(36(6)7)55(74)63(8)43(56(75)76-33-39)29-38-22-25-40(65)26-23-38/h14-20,22-27,34-36,39,41-45,50-52,64-67H,9-13,21,28-33H2,1-8H3,(H,57,72)(H,58,68)(H,59,73)(H,60,69)(H,61,71)(H,62,70)/b18-14-,27-24?/t39-,41+,42+,43+,44+,45+,50+,51+,52+/m1/s1 |
| SMILES | CCCCCC/C=C\CC(=O)N[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]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 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oh, Dong-Chan; Strangman, Wendy K; Kauffman, Christopher A; Jensen, Paul R; Fenical, William Thalassospiramides A and B, immunosuppressive peptides from the marine bacterium Thalassospira sp Organic Letters 2007 9 (8) 1525-1528. | ||
|---|---|---|---|
| DOI | 10.1021/ol070294u | PMID | 17373804 |
