Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027166
PROPERTIES
| NPAID | NPA027166 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Keratinimicin B |
| FORMULA | C78H83Cl2N9O26 |
| MOLECULAR WEIGHT (Da) | 1633.4650 |
| ACCURATE MASS (Da) | 1631.4826 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | keratiniphila NRRL B24117 |
| InChIKey | OTZKSODHAKYYOG-ODWKDSDUSA-N |
| InChI | InChI=1S/C78H83Cl2N9O26/c1-30-63(95)44(81)27-54(108-30)114-70-66(98)65(97)53(29-90)112-78(70)115-69-51-23-37-24-52(69)111-50-18-13-36(22-43(50)80)68(113-55-28-45(82)67(107-3)31(2)109-55)62-76(104)87-60(77(105)106)41-25-38(91)26-49(94)56(41)40-20-35(12-16-47(40)92)58(73(101)89-62)86-74(102)59(37)85-71(99)46(19-32-7-5-4-6-8-32)84-75(103)61(64(96)33-9-14-39(110-51)15-10-33)88-72(100)57(83)34-11-17-48(93)42(79)21-34/h4-18,20-26,30-31,44-46,53-55,57-68,70,78,90-98H,19,27-29,81-83H2,1-3H3,(H,84,103)(H,85,99)(H,86,102)(H,87,104)(H,88,100)(H,89,101)(H,105,106)/t30?,31-,44-,45-,46-,53+,54-,55-,57+,58+,59+,60-,61+,62-,63-,64+,65+,66-,67-,68+,70+,78-/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]3C[C@H](N)[C@@H](O)C(C)O3)OC3=CC=C(C=C3)[C@@H](O)[C@@H](NC(=O)[C@H](N)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=CC(O)=CC(O)=C2C2=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 |
