Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017873
PROPERTIES
| NPAID | NPA017873 |
|---|---|
| CLUSTER ID | 354 |
| NODE ID | 319 |
| NAME | Bogorol A |
| FORMULA | C80H142N16O16 |
| MOLECULAR WEIGHT (Da) | 1584.1120 |
| ACCURATE MASS (Da) | 1583.0790 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | OUGJGNKKLVPBBE-XOWHIZSUSA-N |
| InChI | InChI=1S/C80H142N16O16/c1-20-50(18)66(96-71(103)57(30-27-37-83)86-72(104)58(38-43(4)5)88-68(100)54(22-3)84-80(112)67(99)51(19)21-2)79(111)95-65(49(16)17)78(110)94-64(48(14)15)76(108)87-56(29-24-26-36-82)70(102)93-63(47(12)13)77(109)91-60(40-45(8)9)73(105)85-55(28-23-25-35-81)69(101)90-61(41-52-31-33-53(98)34-32-52)75(107)89-59(39-44(6)7)74(106)92-62(42-97)46(10)11/h22,31-34,43-51,55-67,97-99H,20-21,23-30,35-42,81-83H2,1-19H3,(H,84,112)(H,85,105)(H,86,104)(H,87,108)(H,88,100)(H,89,107)(H,90,101)(H,91,109)(H,92,106)(H,93,102)(H,94,110)(H,95,111)(H,96,103)/b54-22+/t50-,51-,55?,56?,57+,58?,59?,60?,61+,62+,63-,64-,65-,66-,67-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(C)C)NC(=O)[C@@H](CCCN)NC(=O)C(CC(C)C)NC(=O)/C(=C\C)/NC(=O)[C@H]([C@@H](C)CC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barsby, Todd; Kelly, Michael T; Gagné, Stéphane M; Andersen, Raymond J Bogorol A produced in culture by a marine Bacillus sp. reveals a novel template for cationic peptide antibiotics Organic Letters 2001 3 (3) 437-440. | ||
|---|---|---|---|
| DOI | 10.1021/ol006942q | PMID | - |
