Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001087
PROPERTIES
| NPAID | NPA001087 |
|---|---|
| CLUSTER ID | 353 |
| NODE ID | 318 |
| NAME | Salivaricin B |
| FORMULA | C120H182N34O36S4 |
| MOLECULAR WEIGHT (Da) | 2805.2460 |
| ACCURATE MASS (Da) | 2803.2339 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptococcus |
| ORIGIN SPECIES | salivarius strain K12 |
| InChIKey | WYCRECCWGWCUHS-KABIMGDMSA-N |
| InChI | InChI=1S/C120H182N34O36S4/c1-12-59(7)94(151-114(184)93(58(5)6)150-91(165)49-131-90(164)48-130-89(163)45-121)115(185)137-71(31-34-87(123)161)102(172)153-97(62(10)159)118(188)152-95(60(8)13-2)116(186)145-81(51-156)110(180)142-78(43-66-47-127-56-132-66)106(176)135-72(32-35-92(166)167)100(170)147-83(53-191)111(181)133-69(29-22-37-128-120(125)126)98(168)136-73(36-38-194-11)101(171)143-79(44-88(124)162)107(177)144-80(50-155)109(179)141-77(42-65-46-129-68-28-21-20-27-67(65)68)105(175)134-70(30-33-86(122)160)99(169)139-75(40-63-23-16-14-17-24-63)104(174)138-74(39-57(3)4)103(173)140-76(41-64-25-18-15-19-26-64)108(178)154-96(61(9)158)117(187)149-85(55-193)113(183)148-84(54-192)112(182)146-82(52-157)119(189)190/h14-21,23-28,46-47,56-62,69-85,93-97,129,155-159,191-193H,12-13,22,29-45,48-55,121H2,1-11H3,(H2,122,160)(H2,123,161)(H2,124,162)(H,127,132)(H,130,163)(H,131,164)(H,133,181)(H,134,175)(H,135,176)(H,136,168)(H,137,185)(H,138,174)(H,139,169)(H,140,173)(H,141,179)(H,142,180)(H,143,171)(H,144,177)(H,145,186)(H,146,182)(H,147,170)(H,148,183)(H,149,187)(H,150,165)(H,151,184)(H,152,188)(H,153,172)(H,154,178)(H,166,167)(H,189,190)(H4,125,126,128)/t59-,60-,61+,62+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,93-,94-,95-,96-,97-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)CN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hyink, Otto; Wescombe, Philip A; Upton, Mathew; Ragland, Nancy; Burton, Jeremy P; Tagg, John R Salivaricin A2 and the novel lantibiotic salivaricin B are encoded at adjacent loci on a 190-kilobase transmissible megaplasmid in the oral probiotic strain Streptococcus salivarius K12 Applied and Environmental Microbiology 2007 73 (4) 1107-1113. | ||
|---|---|---|---|
| DOI | 10.1128/aem.02265-06 | PMID | 17194838 |
