Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000198
PROPERTIES
| NPAID | NPA000198 |
|---|---|
| CLUSTER ID | 166 |
| NODE ID | 157 |
| NAME | Actinomycin Y2 |
| FORMULA | C61H83ClN12O18 |
| MOLECULAR WEIGHT (Da) | 1307.8540 |
| ACCURATE MASS (Da) | 1306.5637 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | QKJGGXMLLMNPEE-FYXQKJMOSA-N |
| InChI | InChI=1S/C61H83ClN12O18/c1-24(2)41-57(85)73-21-32(75)19-34(73)56(84)69(12)22-37(77)71(14)30(10)60(88)91-36(20-62)45(55(83)65-41)68-53(81)39-40(63)49(79)29(9)51-46(39)64-44-33(17-16-27(7)50(44)92-51)52(80)67-43-31(11)90-61(89)47(26(5)6)72(15)38(78)23-70(13)59(87)48-35(76)18-28(8)74(48)58(86)42(25(3)4)66-54(43)82/h16-17,24-26,28,30-32,34-36,41-43,45,47-48,75-76H,18-23,63H2,1-15H3,(H,65,83)(H,66,82)(H,67,80)(H,68,81)/t28-,30-,31+,32?,34-,35-,36+,41+,42+,43-,45-,47-,48-/m0/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]2N1C(=O)[C@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](N(C(=O)CN(C2=O)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]7CC(CN7C(=O)[C@H](NC6=O)C(C)C)O)C)C)C)CCl)N)C)C(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bitzer, Jens; Streibel, Martin; Langer, Hans-Jörg; Grond, Stephanie First Y-type actinomycins from Streptomyces with divergent structure-activity relationships for antibacterial and cytotoxic properties Organic & Biomolecular Chemistry 2009 7 (3) 444-450. | ||
|---|---|---|---|
| DOI | 10.1039/b815689a | PMID | 19156308 |
