Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028601
PROPERTIES
| NPAID | NPA028601 |
|---|---|
| CLUSTER ID | 8547 |
| NODE ID | 5787 |
| NAME | Keramamide B |
| FORMULA | C54H77BrN10O12 |
| MOLECULAR WEIGHT (Da) | 1138.1720 |
| ACCURATE MASS (Da) | 1136.4906 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Entotheonella |
| ORIGIN SPECIES | factor |
| InChIKey | VYASPLJSUYWMDN-AHOCAZPXSA-N |
| InChI | InChI=1S/C54H77BrN10O12/c1-9-15-37(61-50(73)43(29(7)10-2)64-51(74)44(68)30(8)11-3)48(71)62-38-16-13-22-56-47(70)40(26-34-33-25-32(66)19-20-36(33)59-46(34)55)58-42(67)21-18-31-27-77-53(57-31)35(12-4)60-52(75)45(69)39(24-28(5)6)63-49(72)41-17-14-23-65(41)54(38)76/h18-21,25,27-30,35,37-41,43-44,59,66,68H,9-17,22-24,26H2,1-8H3,(H,56,70)(H,58,67)(H,60,75)(H,61,73)(H,62,71)(H,63,72)(H,64,74)/b21-18-/t29?,30-,35-,37-,38-,39-,40-,41-,43-,44-/m0/s1 |
| SMILES | CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](C)CC)C(C)CC)C(=O)N[C@H]1CCCNC(=O)[C@H](CC2=C(Br)[NH]C3=C2C=C(O)C=C3)NC(=O)/C=C\C2=COC(=N2)[C@H](CC)NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=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 |
