Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016933
PROPERTIES
| NPAID | NPA016933 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Syringopeptin, SP508 B |
| FORMULA | C106H174N24O27 |
| MOLECULAR WEIGHT (Da) | 2216.6990 |
| ACCURATE MASS (Da) | 2215.2980 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | syringae |
| InChIKey | NWTWMUWVJZFILT-JTGXURGVSA-N |
| InChI | InChI=1S/C106H174N24O27/c1-24-28-29-30-31-32-33-34-35-37-69(133)51-80(134)117-72(27-4)105(155)130-47-36-38-79(130)100(150)128-83(57(13)14)103(153)123-75(48-53(5)6)97(147)113-58(15)85(135)110-62(19)91(141)122-76(49-54(7)8)98(148)127-82(56(11)12)102(152)116-60(17)87(137)111-65(22)92(142)126-81(55(9)10)101(151)115-59(16)86(136)109-61(18)88(138)119-71(26-3)94(144)129-84-66(23)157-106(156)77(50-67-39-41-68(132)42-40-67)124-96(146)74(44-46-108)121-95(145)73(43-45-107)120-90(140)64(21)112-93(143)70(25-2)118-89(139)63(20)114-99(149)78(52-131)125-104(84)154/h25-27,39-42,53-66,69,73-79,81-84,131-133H,24,28-38,43-52,107-108H2,1-23H3,(H,109,136)(H,110,135)(H,111,137)(H,112,143)(H,113,147)(H,114,149)(H,115,151)(H,116,152)(H,117,134)(H,118,139)(H,119,138)(H,120,140)(H,121,145)(H,122,141)(H,123,153)(H,124,146)(H,125,154)(H,126,142)(H,127,148)(H,128,150)(H,129,144)/b70-25-,71-26-,72-27-/t58?,59?,60?,61?,62?,63?,64?,65?,66-,69?,73?,74?,75?,76?,77?,78?,79?,81?,82?,83?,84-/m0/s1 |
| SMILES | CCCCCCCCCCCC(CC(=O)N/C(=C\C)/C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N/C(=C\C)/C(=O)N[C@H]2[C@@H](OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC2=O)CO)C)C)CCN)CCN)CC3=CC=C(C=C3)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Grgurina, I.; Bensaci, M.; Pocsfalvi, G.; Mannina, L.; Cruciani, O.; Fiore, A.; Fogliano, V.; Sorensen, K. N.; Takemoto, J. Y. Novel Cyclic Lipodepsipeptide from Pseudomonas syringae pv. lachrymans Strain 508 and Syringopeptin Antimicrobial Activities Antimicrobial Agents and Chemotherapy 2005 49 (12) 5037-5045. | ||
|---|---|---|---|
| DOI | 10.1128/aac.49.12.5037-5045.2005 | PMID | 16304170 |
