Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027167
PROPERTIES
| NPAID | NPA027167 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Keratinimicin D |
| FORMULA | C84H89Cl2N7O34 |
| MOLECULAR WEIGHT (Da) | 1811.5570 |
| ACCURATE MASS (Da) | 1809.4827 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | keratiniphila NRRL B24117 |
| InChIKey | IRTHRFHLWVUXGK-ZVTCYLODSA-N |
| InChI | InChI=1S/C84H89Cl2N7O34/c1-30-61(99)66(104)69(107)82(119-30)127-74-68(106)65(103)53(29-95)124-84(74)126-73-50-23-37-24-51(73)121-48-18-13-36(22-43(48)86)72(125-54-27-44(87)71(117-3)31(2)118-54)60-79(113)91-58(81(115)116)41-25-38(96)26-49(122-83-70(108)67(105)64(102)52(28-94)123-83)55(41)40-20-34(11-16-46(40)97)56(76(110)93-60)90-77(111)57(37)89-75(109)45(19-32-7-5-4-6-8-32)88-78(112)59(62(100)33-9-14-39(120-50)15-10-33)92-80(114)63(101)35-12-17-47(98)42(85)21-35/h4-18,20-26,30-31,44-45,52-54,56-62,64-72,74,82-84,94-100,102-108H,19,27-29,87H2,1-3H3,(H,88,112)(H,89,109)(H,90,111)(H,91,113)(H,92,114)(H,93,110)(H,115,116)/t30?,31-,44-,45-,52+,53+,54-,56+,57+,58-,59+,60-,61-,62+,64+,65+,66+,67-,68-,69+,70-,71-,72+,74+,82-,83-,84-/m0/s1 |
| SMILES | CO[C@@H]1[C@@H](N)C[C@H](O[C@@H]2C3=CC(Cl)=C(C=C3)OC3=CC4=CC(=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC(C)[C@H](O)[C@@H](O)[C@H]3O)OC3=CC=C(C=C3)[C@@H](O)[C@@H](NC(=O)C(=O)C3=CC(Cl)=C(O)C=C3)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)O)C2=C(C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)=CC(O)=C2)C2=C(O)C=CC3=C2)O[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Fei; Wu, Yihan; Zhang, Chen; Davis, Katherine M.; Moon, Kyuho; Bushin, Leah B.; Seyedsayamdost, Mohammad R. A genetics-free method for high-throughput discovery of cryptic microbial metabolites Nature Chemical Biology 2019 15 (2) 161-168. | ||
|---|---|---|---|
| DOI | 10.1038/s41589-018-0193-2 | PMID | 30617293 |
