Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005877215 | Gold | 3 |
COMPOUND NPA020120
PROPERTIES
| NPAID | NPA020120 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Permetin A |
| FORMULA | C54H92N12O12 |
| MOLECULAR WEIGHT (Da) | 1101.4020 |
| ACCURATE MASS (Da) | 1100.6958 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | circulans AJ 3902 |
| InChIKey | NPQJTPHMCZYCNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92N12O12/c1-11-32(9)42-27-43(68)58-35(18-21-55)47(70)66-45(33(10)12-2)53(76)60-36(19-22-56)46(69)62-40(26-34-16-14-13-15-17-34)51(74)61-38(24-29(3)4)49(72)59-37(20-23-57)48(71)65-44(31(7)8)52(75)63-39(25-30(5)6)50(73)64-41(28-67)54(77)78-42/h13-17,29-33,35-42,44-45,67H,11-12,18-28,55-57H2,1-10H3,(H,58,68)(H,59,72)(H,60,76)(H,61,74)(H,62,69)(H,63,75)(H,64,73)(H,65,71)(H,66,70) |
| SMILES | CCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CO)CC(C)C)C(C)C)CCN)CC(C)C)CC2=CC=CC=C2)CCN)C(C)CC)CCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takeuchi, Y; Murai, A; Takahara, Y; Kainosho, M THE STRUCTURE OF PERMETIN A, A NEW POLYPEPTIN TYPE ANTIBIOTIC PRODUCED BY BACILLUS CIRCULANS Journal of Antibiotics 1979 32 (2) 121-129. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.32.121 | PMID | 438100 |
