Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004684334 | Bronze | Actinomycin&X0(beta) |
| CCMSLIB00004684336 | Bronze | Actinomycin&X0(beta) |
| CCMSLIB00000577768 | Gold | 3 |
COMPOUND NPA018707
PROPERTIES
| NPAID | NPA018707 |
|---|---|
| CLUSTER ID | 164 |
| NODE ID | 155 |
| NAME | Actinomycin X0δ |
| FORMULA | C62H86N12O17 |
| MOLECULAR WEIGHT (Da) | 1271.4370 |
| ACCURATE MASS (Da) | 1270.6234 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | NHBSPDCGDJCFKE-XHQLAZNSSA-N |
| InChI | InChI=1S/C62H86N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-34,36-37,42-45,48-49,75H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t32-,33-,34+,36+,37+,42-,43-,44+,45+,48+,49+/m1/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]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7C[C@@H](CN7C(=O)[C@H](NC6=O)C(C)C)O)C)C)C(C)C)C)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brockmann, Hans; Manegold, Jost Henrich Actinomycine, XXIII; Antibiotica aus Actinomyceten, XLV. Überführung von Actinomycin X2 in die Actinomycine C1, X0beta und X0delta European Journal of Inorganic Chemistry 1960 93 (12) 2971-2982. | ||
|---|---|---|---|
| DOI | 10.1002/cber.19600931230 | PMID | - |
