Compounds
COMPOUND NPA007563
PROPERTIES
| NPAID | NPA007563 |
|---|---|
| CLUSTER ID | 166 |
| NODE ID | 157 |
| NAME | Actinomycin D |
| FORMULA | C62H86N12O16 |
| MOLECULAR WEIGHT (Da) | 1255.4380 |
| ACCURATE MASS (Da) | 1254.6285 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | RJURFGZVJUQBHK-IIXSONLDSA-N |
| InChI | InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,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]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schäfer, Martina; Sheldrick, George M; Bahner, Isabel; Lackner, Helmut Crystal structures of actinomycin D and actinomycin Z3 Angewandte Chemie International Edition 1998 37 (17) 2381-2384. | ||
|---|---|---|---|
| DOI | 10.1002/(sici)1521-3773(19980918)37:17<2381::aid-anie2381>3.0.co;2-l | PMID | - |
