Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020628
PROPERTIES
| NPAID | NPA020628 |
|---|---|
| CLUSTER ID | 6479 |
| NODE ID | 141 |
| NAME | Mersacidin |
| FORMULA | C80H120N20O21S4 |
| MOLECULAR WEIGHT (Da) | 1826.2270 |
| ACCURATE MASS (Da) | 1824.7820 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. HIL Y-85,54728 |
| InChIKey | JSWKNDSDVHJUKY-LCUIJRPUSA-N |
| InChI | InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24- |
| SMILES | CCC(C)C1C(=O)N/C=C\SC(C2C(=O)NC(=C)C(=O)NC(C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C3CSC(C(C(=O)NC(C(=O)N4CCCC4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N3)C(C)C)CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6C(SCC(C(=O)N6)N)C)C)C)C(=O)N1)CCC(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chatterjee S; Chatterjee S; Lad SJ; Phansalkar MS; Rupp RH; Ganguli BN; Fehlhaber HW; Kogler H Mersacidin, a new antibiotic from Bacillus. Fermentation, isolation, purification and chemical characterization. Journal of Antibiotics 1992 45 (6) 832-838. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.832 | PMID | 1500347 |
