Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024614
PROPERTIES
| NPAID | NPA024614 |
|---|---|
| CLUSTER ID | 6446 |
| NODE ID | 143 |
| NAME | Xenoamicin C |
| FORMULA | C65H111N13O15 |
| MOLECULAR WEIGHT (Da) | 1314.6790 |
| ACCURATE MASS (Da) | 1313.8323 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | doucetiae DSM17909 |
| InChIKey | RCNSZSLZDQBOEM-YXEJCLQBSA-N |
| InChI | InChI=1S/C65H111N13O15/c1-19-24-45(79)77-29-22-25-43(77)57(84)67-40(17)55(82)70-48(34(8)9)60(87)69-42(31-32(4)5)56(83)74-51(37(14)20-2)63(90)76-53-41(18)93-65(92)50(36(12)13)73-58(85)44-26-23-30-78(44)46(80)27-28-66-54(81)39(16)68-59(86)47(33(6)7)71-62(89)52(38(15)21-3)75-61(88)49(35(10)11)72-64(53)91/h32-44,47-53H,19-31H2,1-18H3,(H,66,81)(H,67,84)(H,68,86)(H,69,87)(H,70,82)(H,71,89)(H,72,91)(H,73,85)(H,74,83)(H,75,88)(H,76,90)/t37-,38-,39-,40-,41-,42-,43+,44-,47+,48+,49+,50+,51+,52-,53-/m1/s1 |
| SMILES | CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)CCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)C(C)C)[C@H](C)CC)C(C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhou, Qiuqin; Grundmann, Florian; Kaiser, Marcel; Schiell, Matthias; Gaudriault, Sophie; Batzer, Andreas; Kurz, Michael; Bode, Helge B. Structure and biosynthesis of xenoamicins from entomopathogenic xenorhabdus Chemistry - A European Journal 2013 19 (49) 16772-16779. | ||
|---|---|---|---|
| DOI | 10.1002/chem.201302481 | PMID | 24203528 |
