Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001421
PROPERTIES
| NPAID | NPA001421 |
|---|---|
| CLUSTER ID | 931 |
| NODE ID | 141 |
| NAME | Linocin M18 |
| FORMULA | C91H146N24O27S |
| MOLECULAR WEIGHT (Da) | 2040.3770 |
| ACCURATE MASS (Da) | 2039.0510 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Brevibacterium |
| ORIGIN SPECIES | linens |
| InChIKey | GZNURBUEENTXCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C91H146N24O27S/c1-14-46(7)71(89(140)115-36-18-21-63(115)85(136)98-43-68(119)113-34-17-22-64(113)86(137)101-49(10)74(125)99-48(9)73(124)100-50(11)75(126)103-57(29-31-70(122)123)79(130)112-72(90(141)142)47(8)15-2)111-87(138)65-23-19-35-114(65)88(139)51(12)102-80(131)58(38-44(3)4)107-78(129)56(28-30-69(120)121)105-77(128)55(20-16-33-97-91(95)96)104-82(133)60(40-52-24-26-53(116)27-25-52)109-81(132)59(39-45(5)6)108-84(135)62(42-67(94)118)110-83(134)61(41-66(93)117)106-76(127)54(92)32-37-143-13/h24-27,44-51,54-65,71-72,116H,14-23,28-43,92H2,1-13H3,(H2,93,117)(H2,94,118)(H,98,136)(H,99,125)(H,100,124)(H,101,137)(H,102,131)(H,103,126)(H,104,133)(H,105,128)(H,106,127)(H,107,129)(H,108,135)(H,109,132)(H,110,134)(H,111,138)(H,112,130)(H,120,121)(H,122,123)(H,141,142)(H4,95,96,97) |
| SMILES | CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Valdés-Stauber, N; Scherer, S Isolation and characterization of Linocin M18, a bacteriocin produced by Brevibacterium linens Applied and Environmental Microbiology 1994 60 (10) 3809-3814. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541168 | PMID | 7986050 |
