Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006195
PROPERTIES
| NPAID | NPA006195 |
|---|---|
| CLUSTER ID | 1181 |
| NODE ID | 141 |
| NAME | Actagardine B |
| FORMULA | C81H124N20O24S4 |
| MOLECULAR WEIGHT (Da) | 1890.2670 |
| ACCURATE MASS (Da) | 1888.7980 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinoplanes |
| ORIGIN SPECIES | liguriae |
| InChIKey | QZCUHJNRQAFEFU-HMKORLBLSA-N |
| InChI | InChI=1S/C81H124N20O24S4/c1-15-38(10)61-77(119)88-47(20-21-58(105)106)69(111)92-53-31-127-40(12)62(101-74(116)52-30-126-29-45(82)66(108)91-51(28-102)67(109)84-26-56(103)87-50(72(114)98-59(36(6)7)75(117)93-52)24-43-25-83-46-19-17-16-18-44(43)46)78(120)89-49(23-35(4)5)71(113)100-63(79(121)99-61)41(13)128-32-54-73(115)86-39(11)65(107)95-55(81(123)124)33-129(125)42(14)64(96-57(104)27-85-68(53)110)80(122)90-48(22-34(2)3)70(112)97-60(37(8)9)76(118)94-54/h16-19,25,34-42,45,47-55,59-64,83,102H,15,20-24,26-33,82H2,1-14H3,(H,84,109)(H,85,110)(H,86,115)(H,87,103)(H,88,119)(H,89,120)(H,90,122)(H,91,108)(H,92,111)(H,93,117)(H,94,118)(H,95,107)(H,96,104)(H,97,112)(H,98,114)(H,99,121)(H,100,113)(H,101,116)(H,105,106)(H,123,124)/t38?,39-,40-,41-,42-,45+,47-,48-,49?,50?,51-,52-,53+,54-,55?,59-,60-,61-,62-,63+,64-,129?/m0/s1 |
| SMILES | CCC(C)[C@@H]1NC(=O)[C@@H]2NC(=O)C(CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]3CSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NC(CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N3)[C@H](C)SC[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(=O)N[C@H]1[C@H](C)S(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CS[C@H]2C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(C)C)C(O)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Boakes, Steven; Appleyard, Antony N; Cortés, Jesús; Dawson, Michael J Organization of the biosynthetic genes encoding deoxyactagardine B (DAB), a new lantibiotic produced by Actinoplanes liguriae NCIMB41362 Journal of Antibiotics 2010 63 (7) 351-358. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.48 | PMID | 20520597 |
