Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025602
PROPERTIES
| NPAID | NPA025602 |
|---|---|
| CLUSTER ID | 7731 |
| NODE ID | 141 |
| NAME | Cadaside A |
| FORMULA | C69H99N13O28 |
| MOLECULAR WEIGHT (Da) | 1558.6140 |
| ACCURATE MASS (Da) | 1557.6722 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | eDNA sp. |
| InChIKey | HKTPJHSXELPTFT-UBMKZYSCSA-N |
| InChI | InChI=1S/C69H99N13O28/c1-8-34(3)15-12-10-11-13-17-47(85)70-30-36(5)58(96)71-31-48(86)73-40(22-24-50(88)89)59(97)75-42(27-38-18-20-39(83)21-19-38)61(99)79-55-37(6)110-53(94)33-81(7)66(104)44(28-46(84)68(106)107)77-60(98)41(23-25-51(90)91)74-49(87)32-72-63(101)45-16-14-26-82(45)67(105)56(57(95)69(108)109)80-62(100)43(29-52(92)93)76-64(102)54(35(4)9-2)78-65(55)103/h10-11,13,17-21,34-37,40-46,54-57,83-84,95H,8-9,12,14-16,22-33H2,1-7H3,(H,70,85)(H,71,96)(H,72,101)(H,73,86)(H,74,87)(H,75,97)(H,76,102)(H,77,98)(H,78,103)(H,79,99)(H,80,100)(H,88,89)(H,90,91)(H,92,93)(H,106,107)(H,108,109)/b11-10+,17-13-/t34?,35-,36-,37-,40-,41-,42+,43+,44+,45+,46-,54-,55+,56+,57-/m1/s1 |
| SMILES | CCC(C)CC/C=C/C=C\C(=O)NC[C@@H](C)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]1C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](O)C(=O)O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C[C@@H](O)C(=O)O)C(=O)N(C)CC(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, Changsheng; Shang, Zhuo; Lemetre, Christophe; Ternei, Melinda A.; Brady, Sean F. Cadasides, Calcium-Dependent Acidic Lipopeptides from the Soil Metagenome That Are Active against Multidrug-Resistant Bacteria Journal of the American Chemical Society 2019 141 (9) 3910-3919. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.8b12087 | PMID | 30735616 |
