Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028418
PROPERTIES
| NPAID | NPA028418 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | Laterocidine |
| FORMULA | C78H113N19O18 |
| MOLECULAR WEIGHT (Da) | 1604.8770 |
| ACCURATE MASS (Da) | 1603.8511 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | laterosporus ATCC 9141 |
| InChIKey | MIUUXMLKAKRFMK-PCBFYWCHSA-N |
| InChI | InChI=1S/C78H113N19O18/c1-6-44(4)67-77(113)95-60(36-62(82)100)70(106)86-39-64(102)85-41-66(104)115-45(5)68(78(114)96-67)97-75(111)59(35-48-38-84-53-21-13-11-19-51(48)53)93-71(107)55(23-15-31-80)88-65(103)40-87-69(105)54(22-14-30-79)90-72(108)56(24-16-32-81)91-74(110)58(34-47-37-83-52-20-12-10-18-50(47)52)94-73(109)57(33-46-26-28-49(99)29-27-46)92-76(112)61(42-98)89-63(101)25-9-7-8-17-43(2)3/h10-13,18-21,26-29,37-38,43-45,54-61,67-68,83-84,98-99H,6-9,14-17,22-25,30-36,39-42,79-81H2,1-5H3,(H2,82,100)(H,85,102)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,114)(H,97,111)/t44-,45+,54-,55+,56+,57+,58+,59-,60-,61+,67-,68-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCCN)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CO)NC(=O)CCCCCC(C)C)[C@@H](C)OC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O |
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 |
