Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002551
PROPERTIES
| NPAID | NPA002551 |
|---|---|
| CLUSTER ID | 353 |
| NODE ID | 318 |
| NAME | Sakacin 674 |
| FORMULA | C91H144N24O25S |
| MOLECULAR WEIGHT (Da) | 2006.3630 |
| ACCURATE MASS (Da) | 2005.0455 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lactobacillus |
| ORIGIN SPECIES | sake |
| InChIKey | BVUJZFIJFGKUGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C91H144N24O25S/c1-46(2)34-60(81(130)101-51(11)76(125)113-74(49(7)8)90(139)115-75(50(9)10)91(140)114-73(48(5)6)89(138)99-42-70(120)98-43-72(123)124)105-87(136)66(40-71(121)122)111-79(128)58(23-17-19-32-93)103-85(134)64(38-54-41-97-45-100-54)109-88(137)67(44-116)112-82(131)61(35-47(3)4)106-83(132)63(37-53-24-26-55(117)27-25-53)108-86(135)65(39-69(96)119)110-84(133)62(36-52-20-14-13-15-21-52)107-80(129)59(28-29-68(95)118)104-78(127)57(22-16-18-31-92)102-77(126)56(94)30-33-141-12/h13-15,20-21,24-27,41,45-51,56-67,73-75,116-117H,16-19,22-23,28-40,42-44,92-94H2,1-12H3,(H2,95,118)(H2,96,119)(H,97,100)(H,98,120)(H,99,138)(H,101,130)(H,102,126)(H,103,134)(H,104,127)(H,105,136)(H,106,132)(H,107,129)(H,108,135)(H,109,137)(H,110,133)(H,111,128)(H,112,131)(H,113,125)(H,114,140)(H,115,139)(H,121,122)(H,123,124) |
| SMILES | CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCSC)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Holck, A; Axelsson, L; Huhne, K; Krockel, L Purification and cloning of sakacin 674, a bacteriocin from Lactobacillus sake Lb674 FEMS Microbiology Letters 1994 115 (2-3) 143-149. | ||
|---|---|---|---|
| DOI | 10.1016/0378-1097(94)90005-1 | PMID | - |
