Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028627
PROPERTIES
| NPAID | NPA028627 |
|---|---|
| CLUSTER ID | 249 |
| NODE ID | 20 |
| NAME | Virginiafactin B |
| FORMULA | C54H99N9O13 |
| MOLECULAR WEIGHT (Da) | 1082.4360 |
| ACCURATE MASS (Da) | 1081.7362 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. QS1027 |
| InChIKey | QXRJHCKZVAJRMP-LEIMUPEMSA-N |
| InChI | InChI=1S/C54H99N9O13/c1-14-16-17-18-19-20-36(65)28-45(67)56-38(23-30(3)4)48(69)59-39(24-31(5)6)49(70)57-37(21-22-44(55)66)47(68)58-40(25-32(7)8)51(72)62-43(29-64)52(73)63-46(35(13)15-2)53(74)60-41(26-33(9)10)50(71)61-42(54(75)76)27-34(11)12/h30-43,46,64-65H,14-29H2,1-13H3,(H2,55,66)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,60,74)(H,61,71)(H,62,72)(H,63,73)(H,75,76)/t35-,36+,37+,38-,39-,40-,41+,42-,43+,46-/m0/s1 |
| SMILES | CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sebastian Götze, Johannes Arp, Gerald Lackner, Shuaibing Zhang, Hajo Kries, Martin Klapper, María García-Altares, Karsten Willing, Markus Günthera, Pierre Stallforth Structure elucidation of the syringafactin lipopeptides provides insight in the evolution of nonribosomal peptide synthetases Chemical Science 2019 10 10979-10990. | ||
|---|---|---|---|
| DOI | 10.1039/c9sc03633d | PMID | - |
