Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028600
PROPERTIES
| NPAID | NPA028600 |
|---|---|
| CLUSTER ID | 8546 |
| NODE ID | 5786 |
| NAME | Cyclotheonamide A |
| FORMULA | C36H45N9O8 |
| MOLECULAR WEIGHT (Da) | 731.8110 |
| ACCURATE MASS (Da) | 731.3391 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Entotheonella |
| ORIGIN SPECIES | factor |
| InChIKey | CDWXSPKJKIUEQF-BIXWYCRZSA-N |
| InChI | InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1 |
| SMILES | NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)CNC(=O)/C=C/[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wilson MC; Mori T; Rückert C; Uria AR; Helf MJ; Takada K; Gernert C; Steffens UA; Heycke N; Schmitt S; Rinke C; Helfrich EJ; Brachmann AO; Gurgui C; Wakimoto T; Kracht M; Crüsemann M; Hentschel U; Abe I; Matsunaga S; Kalinowski J; Takeyama H; Piel J An environmental bacterial taxon with a large and distinct metabolic repertoire. Nature 2014 506 (7486) 58-62. | ||
|---|---|---|---|
| DOI | 10.1038/nature12959 | PMID | 24476823 |
