Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013575
PROPERTIES
| NPAID | NPA013575 |
|---|---|
| CLUSTER ID | 1181 |
| NODE ID | 141 |
| NAME | Actagardine, unoxidised form |
| FORMULA | C81H124N20O23S4 |
| MOLECULAR WEIGHT (Da) | 1874.2680 |
| ACCURATE MASS (Da) | 1872.8031 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinoplanes |
| ORIGIN SPECIES | sp. strain ATCC 31049 |
| InChIKey | BONKUOOMLCEDCZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C81H124N20O23S4/c1-15-37(9)60-76(118)88-47(21-22-57(105)106)69(111)91-52-31-126-41(13)63(101-73(115)51-30-125-29-45(82)66(108)90-50(28-102)67(109)84-26-55(103)87-49(71(113)96-58(35(5)6)74(116)92-51)24-43-25-83-46-20-18-17-19-44(43)46)78(120)89-48(23-34(3)4)70(112)100-64(80(122)99-60)42(14)127-32-53-72(114)86-39(11)65(107)94-54(81(123)124)33-128-40(12)62(95-56(104)27-85-68(52)110)79(121)97-59(36(7)8)75(117)98-61(38(10)16-2)77(119)93-53/h17-20,25,34-42,45,47-54,58-64,83,102H,15-16,21-24,26-33,82H2,1-14H3,(H,84,109)(H,85,110)(H,86,114)(H,87,103)(H,88,118)(H,89,120)(H,90,108)(H,91,111)(H,92,116)(H,93,119)(H,94,107)(H,95,104)(H,96,113)(H,97,121)(H,98,117)(H,99,122)(H,100,112)(H,101,115)(H,105,106)(H,123,124) |
| SMILES | CCC(C)C1NC(=O)C(NC(=O)C2NC(=O)CNC(=O)C3CSC(C)C(NC(=O)C4CSCC(N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC5=CNC6=C5C=CC=C6)C(=O)NC(C(C)C)C(=O)N4)C(=O)NC(CC(C)C)C(=O)NC(C(C)SCC(NC1=O)C(=O)NC(C)C(=O)NC(CSC2C)C(O)=O)C(=O)NC(C(C)CC)C(=O)NC(CCC(O)=O)C(=O)N3)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | KETTENRING, JÜRGEN K.; MALABARBA, ADRIANO; VÉKEY, KÁROLY; CAVALLERI, BRUNO Sequence determination of actagardine, a novel lantibiotic, by homonuclear 2D NMR spectroscopy Journal of Antibiotics 1990 43 (9) 1082-1088. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.1082 | PMID | 2211371 |
