Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577606 | Gold | 3 |
COMPOUND NPA013302
PROPERTIES
| NPAID | NPA013302 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Pseudodesmin A |
| FORMULA | C54H96N10O15 |
| MOLECULAR WEIGHT (Da) | 1125.4170 |
| ACCURATE MASS (Da) | 1124.7057 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | SBKWAHPUHRUGMG-YCDXGENYSA-N |
| InChI | InChI=1S/C54H96N10O15/c1-13-15-16-17-18-19-34(67)25-42(69)56-36(22-28(3)4)47(71)57-35(20-21-41(55)68)46(70)64-45-33(12)79-54(78)44(32(11)14-2)63-51(75)40(27-66)61-48(72)37(23-29(5)6)58-50(74)39(26-65)60-49(73)38(24-30(7)8)59-52(76)43(31(9)10)62-53(45)77/h28-40,43-45,65-67H,13-27H2,1-12H3,(H2,55,68)(H,56,69)(H,57,71)(H,58,74)(H,59,76)(H,60,73)(H,61,72)(H,62,77)(H,63,75)(H,64,70)/t32-,33+,34+,35+,36-,37-,38+,39+,40+,43+,44-,45+/m0/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@@H](C)CC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sinnaeve, Davy; Michaux, Catherine; Van hemel, Johan; Vandenkerckhove, Jan; Peys, Eric; Borremans, Frans A.M.; Sas, Benedikt; Wouters, Johan; Martins, Jose C. Structure and X-ray conformation of pseudodesmins A and B, two new cyclic lipodepsipeptides from Pseudomonas bacteria Tetrahedron 2009 65 (21) 4173-4181. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2009.03.045 | PMID | - |
