Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021179
PROPERTIES
| NPAID | NPA021179 |
|---|---|
| CLUSTER ID | 164 |
| NODE ID | 155 |
| NAME | Actinomycin monolactone |
| FORMULA | C62H88N12O17 |
| MOLECULAR WEIGHT (Da) | 1273.4530 |
| ACCURATE MASS (Da) | 1272.6390 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinoplanes |
| ORIGIN SPECIES | missouriensis |
| InChIKey | RWUXYUFLKBITPJ-LMYCQPCQSA-N |
| InChI | InChI=1S/C62H88N12O17/c1-27(2)42(59(85)73-23-17-19-36(73)57(83)69(13)25-38(76)71(15)48(29(5)6)61(87)88)65-55(81)44(33(11)75)67-54(80)40-41(63)50(78)32(10)52-47(40)64-46-35(22-21-31(9)51(46)91-52)53(79)68-45-34(12)90-62(89)49(30(7)8)72(16)39(77)26-70(14)58(84)37-20-18-24-74(37)60(86)43(28(3)4)66-56(45)82/h21-22,27-30,33-34,36-37,42-45,48-49,75H,17-20,23-26,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,80)(H,68,79)(H,87,88)/t33-,34-,36+,37+,42+,43+,44+,45+,48-,49-/m0/s1 |
| SMILES | C[C@H]1[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C(C)C)C(=O)N6CCC[C@@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rickards RW; Perlman KL; Perlman D Actinomycin monolactone. 3. A chemical approach to identification of the microbial metabolite. Journal of Antibiotics 1973 26 (3) 177-178. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.26.177 | PMID | 4131509 |
