Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028417
PROPERTIES
| NPAID | NPA028417 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | Brevicidine |
| FORMULA | C74H106N18O17 |
| MOLECULAR WEIGHT (Da) | 1519.7710 |
| ACCURATE MASS (Da) | 1518.7983 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | laterosporus DSM 25 |
| InChIKey | UNKSYZNQRBVIFM-AGEPBGDISA-N |
| InChI | InChI=1S/C74H106N18O17/c1-6-40(3)22-27-60(96)84-57(34-59(78)95)70(104)88-54(31-43-23-25-46(94)26-24-43)68(102)90-55(32-44-35-79-49-17-10-8-15-47(44)49)69(103)87-53(21-14-30-77)67(101)86-51(19-12-28-75)65(99)81-37-61(97)83-52(20-13-29-76)66(100)89-56(33-45-36-80-50-18-11-9-16-48(45)50)71(105)92-64-42(5)109-74(108)58(39-93)85-62(98)38-82-72(106)63(41(4)7-2)91-73(64)107/h8-11,15-18,23-26,35-36,40-42,51-58,63-64,79-80,93-94H,6-7,12-14,19-22,27-34,37-39,75-77H2,1-5H3,(H2,78,95)(H,81,99)(H,82,106)(H,83,97)(H,84,96)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,100)(H,90,102)(H,91,107)(H,92,105)/t40?,41-,42+,51-,52+,53+,54+,55+,56-,57+,58-,63-,64-/m0/s1 |
| SMILES | CCC(C)CCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li YX; Zhong Z; Zhang WP; Qian PY Discovery of cationic nonribosomal peptides as Gram-negative antibiotics through global genome mining. Nature Communications 2018 9 (1) 3273. | ||
|---|---|---|---|
| DOI | 10.1038/s41467-018-05781-6 | PMID | 30115920 |
