Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021732
PROPERTIES
| NPAID | NPA021732 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | Taromycin B |
| FORMULA | C71H93Cl2N17O25 |
| MOLECULAR WEIGHT (Da) | 1655.5250 |
| ACCURATE MASS (Da) | 1653.5906 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Saccharomonospora |
| ORIGIN SPECIES | sp. CNQ-490 |
| InChIKey | FERWSKLZJQKSKR-FUUISUMSSA-N |
| InChI | InChI=1S/C71H93Cl2N17O25/c1-7-31(2)11-8-9-13-52(93)83-44(20-36-28-77-43-22-38(73)14-16-39(36)43)66(109)85-45(24-51(76)92)67(110)87-48(27-58(102)103)68(111)90-60-35(6)115-71(114)49(23-50(91)40-17-15-37(72)21-41(40)75)88-70(113)59(32(3)19-55(96)97)89-62(105)33(4)80-53(94)29-78-63(106)46(25-56(98)99)84-61(104)34(5)81-65(108)47(26-57(100)101)86-64(107)42(12-10-18-74)82-54(95)30-79-69(60)112/h8-9,11,13-17,21-22,28,31-35,42,44-49,59-60,77H,7,10,12,18-20,23-27,29-30,74-75H2,1-6H3,(H2,76,92)(H,78,106)(H,79,112)(H,80,94)(H,81,108)(H,82,95)(H,83,93)(H,84,104)(H,85,109)(H,86,107)(H,87,110)(H,88,113)(H,89,105)(H,90,111)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t31?,32-,33-,34-,35-,42+,44+,45-,46+,47+,48+,49+,59+,60+/m1/s1 |
| SMILES | CCC(C)C=CC=CC(=O)N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)C)[C@H](C)CC(=O)O)CC(=O)C4=C(C=C(C=C4)Cl)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Reynolds, Kirk A.; Luhavaya, Hanna; Li, Jie; Dahesh, Samira; Nizet, Victor; Yamanaka, Kazuya; Moore, Bradley S. Isolation and structure elucidation of lipopeptide antibiotic taromycin B from the activated taromycin biosynthetic gene cluster Journal of Antibiotics 2018 71 (2) 333-338. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2017.146 | PMID | 29184121 |
