Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032741
PROPERTIES
| NPAID | NPA032741 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Mycosubtilin |
| FORMULA | C51H80N12O14 |
| MOLECULAR WEIGHT (Da) | 1085.2710 |
| ACCURATE MASS (Da) | 1084.5917 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis |
| InChIKey | BLABTWCPHRRLHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H80N12O14/c1-29(2)13-10-8-6-4-3-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)47(73)59-34(23-30-16-18-32(65)19-17-30)46(72)60-37(27-43(55)69)48(74)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)62-38(28-64)49(75)61-36(26-42(54)68)45(71)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,71)(H,57,70)(H,58,74)(H,59,73)(H,60,72)(H,61,75)(H,62,76) |
| SMILES | CC(C)CCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Peypoux, F; Michel, G; Delcambe, L [The structure of mycosubtilin, an antibiotic isolated from Bacillus subtilis (author's transl)]. European Journal of Biochemistry 1976 63 (2) 391-8. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1976.tb10240.x | PMID | 816652 |
