Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015244
PROPERTIES
| NPAID | NPA015244 |
|---|---|
| CLUSTER ID | 5343 |
| NODE ID | 141 |
| NAME | Lacticin 481 |
| FORMULA | C127H182N36O35S4 |
| MOLECULAR WEIGHT (Da) | 2901.3380 |
| ACCURATE MASS (Da) | 2899.2451 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lactococcus |
| ORIGIN SPECIES | lactis ssp. lactis |
| InChIKey | VIEVUPYQRUJFFA-XFKIZFQISA-N |
| InChI | InChI=1S/C127H182N36O35S4/c1-12-63(8)101(161-123(193)99(61(4)5)159-97(171)51-138-105(175)85(52-164)141-96(170)50-136-95(169)49-137-104(174)72(129)30-23-24-37-128)124(194)152-82(43-70-48-134-60-140-70)116(186)163-103-65(10)202-58-91-121(191)150-83(44-93(131)167)113(183)145-77(36-38-199-11)109(179)149-84(45-94(132)168)114(184)155-87-54-200-55-88(119(189)153-86(53-165)127(197)198)156-120(190)89(56-201-57-90(158-125(195)102(64(9)13-2)162-126(103)196)118(188)148-81(42-69-47-133-59-139-69)112(182)144-76(108(178)157-91)33-35-98(172)173)154-106(176)73(14-3)142-110(180)78(39-66-25-17-15-18-26-66)151-122(192)100(62(6)7)160-115(185)79(40-67-27-19-16-20-28-67)146-107(177)75(32-34-92(130)166)143-111(181)80(147-117(87)187)41-68-46-135-74-31-22-21-29-71(68)74/h14-22,25-29,31,46-48,59-65,72,75-91,99-103,135,164-165H,12-13,23-24,30,32-45,49-58,128-129H2,1-11H3,(H2,130,166)(H2,131,167)(H2,132,168)(H,133,139)(H,134,140)(H,136,169)(H,137,174)(H,138,175)(H,141,170)(H,142,180)(H,143,181)(H,144,182)(H,145,183)(H,146,177)(H,147,187)(H,148,188)(H,149,179)(H,150,191)(H,151,192)(H,152,194)(H,153,189)(H,154,176)(H,155,184)(H,156,190)(H,157,178)(H,158,195)(H,159,171)(H,160,185)(H,161,193)(H,162,196)(H,163,186)(H,172,173)(H,197,198)/b73-14- |
| SMILES | CCC(C)C1C(=O)NC2CSCC3C(=O)NC(CSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C(=C\C)/C(=O)N3)CC4=CC=CC=C4)C(C)C)CC5=CC=CC=C5)CCC(=O)N)CC6=CNC7=CC=CC=C76)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSC(C(C(=O)N1)NC(=O)C(CC8=CNC=N8)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CCCCN)N)C)NC(=O)C(NC(=O)C(NC2=O)CC9=CNC=N9)CCC(=O)O)CC(=O)N)CCSC)CC(=O)N)C(=O)NC(CO)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hooven, Henno W. van den; Lagerwerf, Fija M.; Heerma, Wigger; Haverkamp, Johan; Piard, Jean-Christophe; Hilbers, Cornelis W.; Siezen, Roland J.; Kuipers, Oscar P.; Rollema, Harry S. The structure of the lantibiotic lacticin 481 produced by Lactococcus lactis: location of the thioether bridges FEBS Letters 1996 391 (3) 317-322. | ||
|---|---|---|---|
| DOI | 10.1016/0014-5793(96)00771-5 | PMID | - |
SYNTHESES
| CITATION 1 | Knerr PJ; van der Donk WA Chemical synthesis of the lantibiotic lacticin 481 reveals the importance of lanthionine stereochemistry. Journal of the American Chemical Society 2013 135 (19) 7094-7. DOI: 10.1021/ja4014024 PMID: 23621626 | ||
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