Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001933
PROPERTIES
| NPAID | NPA001933 |
|---|---|
| CLUSTER ID | 1210 |
| NODE ID | 1029 |
| NAME | Thalassospiramide A |
| FORMULA | C48H75N7O13 |
| MOLECULAR WEIGHT (Da) | 958.1640 |
| ACCURATE MASS (Da) | 957.5423 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | sp. |
| InChIKey | MGOHJFNPHUCXQI-ZOZVJHEXSA-N |
| InChI | InChI=1S/C48H75N7O13/c1-9-10-11-12-13-14-15-16-38(60)50-35(26-57)44(63)54-42(29(4)5)46(65)51-34(25-56)37(59)24-40(62)53-41(28(2)3)45(64)49-32-19-22-39(61)52-43(30(6)7)47(66)55(8)36(48(67)68-27-32)23-31-17-20-33(58)21-18-31/h14-15,17-22,28-30,32,34-37,41-43,56-59H,9-13,16,23-27H2,1-8H3,(H,49,64)(H,50,60)(H,51,65)(H,52,61)(H,53,62)(H,54,63)/b15-14-,22-19?/t32-,34+,35+,36+,37+,41+,42+,43+/m1/s1 |
| SMILES | CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=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 |
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 |
