Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024858
PROPERTIES
| NPAID | NPA024858 |
|---|---|
| CLUSTER ID | 7574 |
| NODE ID | 141 |
| NAME | Locillomycin B |
| FORMULA | C53H81N11O18 |
| MOLECULAR WEIGHT (Da) | 1160.2900 |
| ACCURATE MASS (Da) | 1159.5761 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis 916 |
| InChIKey | WFOPIRXUIQRPQI-JWGLGNDASA-N |
| InChI | InChI=1S/C53H81N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-40(68)63-46-30(4)82-53(81)45(29(2)3)64-51(79)34(23-31-17-19-32(65)20-18-31)58-41(69)27-56-48(76)37(26-44(73)74)62-50(78)35(24-39(55)67)59-42(70)28-57-47(75)36(25-43(71)72)61-49(77)33(60-52(46)80)21-22-38(54)66/h17-20,29-30,33-37,45-46,65H,5-16,21-28H2,1-4H3,(H2,54,66)(H2,55,67)(H,56,76)(H,57,75)(H,58,69)(H,59,70)(H,60,80)(H,61,77)(H,62,78)(H,63,68)(H,64,79)(H,71,72)(H,73,74)/t30?,33-,34+,35+,36+,37+,45+,46+/m1/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)N[C@H]1C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCC(=O)N)CC(=O)O)CC(=O)N)CC(=O)O)CC2=CC=C(C=C2)O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luo C; Liu X; Zhou X; Guo J; Truong J; Wang X; Zhou H; Li X; Chen Z Unusual Biosynthesis and Structure of Locillomycins from Bacillus subtilis 916. Applied and Environmental Microbiology 2015 81 (19) 6601-6609. | ||
|---|---|---|---|
| DOI | 10.1128/AEM.01639-15 | PMID | 26162886 |
