Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028626
PROPERTIES
| NPAID | NPA028626 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Virginiafactin A |
| FORMULA | C53H97N9O13 |
| MOLECULAR WEIGHT (Da) | 1068.4090 |
| ACCURATE MASS (Da) | 1067.7206 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. QS1027 |
| InChIKey | BSSWFLXSPXRCKV-LSCJSURTSA-N |
| InChI | InChI=1S/C53H97N9O13/c1-14-15-16-17-18-19-35(64)27-44(66)55-37(22-29(2)3)47(68)58-38(23-30(4)5)48(69)56-36(20-21-43(54)65)46(67)57-39(24-31(6)7)50(71)61-42(28-63)51(72)62-45(34(12)13)52(73)59-40(25-32(8)9)49(70)60-41(53(74)75)26-33(10)11/h29-42,45,63-64H,14-28H2,1-13H3,(H2,54,65)(H,55,66)(H,56,69)(H,57,67)(H,58,68)(H,59,73)(H,60,70)(H,61,71)(H,62,72)(H,74,75)/t35-,36-,37+,38+,39+,40-,41+,42-,45+/m1/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(C)C |
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 | - |
