Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024685
PROPERTIES
| NPAID | NPA024685 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Nunapeptin |
| FORMULA | C99H165N23O27 |
| MOLECULAR WEIGHT (Da) | 2109.5430 |
| ACCURATE MASS (Da) | 2108.2245 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens In5 |
| InChIKey | NVSQQGJQHRAZND-VOUVGNCQSA-N |
| InChI | InChI=1S/C99H165N23O27/c1-26-32-33-34-35-36-37-39-62(125)44-70(126)109-65(31-6)98(147)122-43-38-40-69(122)91(140)104-54(18)79(128)101-53(17)78(127)102-58(22)83(132)115-71(47(7)8)92(141)105-56(20)81(130)110-63(29-4)86(135)113-67(45-123)89(138)118-74(50(13)14)95(144)119-75(51(15)27-2)96(145)107-55(19)80(129)103-59(23)84(133)116-72(48(9)10)93(142)106-60(24)85(134)117-73(49(11)12)94(143)111-64(30-5)87(136)121-77-61(25)149-99(148)76(52(16)28-3)120-90(139)68(46-124)114-88(137)66(41-42-100)112-82(131)57(21)108-97(77)146/h29-31,47-54,56-62,66-69,71-77,123-125H,19,26-28,32-46,100H2,1-18,20-25H3,(H,101,128)(H,102,127)(H,103,129)(H,104,140)(H,105,141)(H,106,142)(H,107,145)(H,108,146)(H,109,126)(H,110,130)(H,111,143)(H,112,131)(H,113,135)(H,114,137)(H,115,132)(H,116,133)(H,117,134)(H,118,138)(H,119,144)(H,120,139)(H,121,136)/b63-29-,64-30-,65-31- |
| SMILES | CCCCCCCCCC(CC(=O)N/C(=C\C)/C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N/C(=C\C)/C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(=C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N/C(=C\C)/C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C)CCN)CO)C(C)CC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Michelsen CF; Watrous J; Glaring MA; Kersten R; Koyama N; Dorrestein PC; Stougaard P Nonribosomal peptides, key biocontrol components for Pseudomonas fluorescens In5, isolated from a Greenlandic suppressive soil. mBio 2015 6 (2) e00079. | ||
|---|---|---|---|
| DOI | 10.1128/mBio.00079-15 | PMID | 25784695 |
