Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008209
PROPERTIES
| NPAID | NPA008209 |
|---|---|
| CLUSTER ID | 164 |
| NODE ID | 155 |
| NAME | Actinomycin Z3 |
| FORMULA | C62H83ClN12O18 |
| MOLECULAR WEIGHT (Da) | 1319.8650 |
| ACCURATE MASS (Da) | 1318.5637 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | PLQQUUFBVCDPMY-HQBKXLNNSA-N |
| InChI | InChI=1S/C62H83ClN12O18/c1-24(2)42-58(86)74-28(8)19-36(77)49(74)60(88)71(14)23-39(79)73(16)48(26(5)6)62(90)91-32(12)44(55(83)66-42)68-53(81)33-18-17-27(7)51-45(33)65-47-40(41(64)50(80)29(9)52(47)93-51)54(82)69-46-37(21-63)92-61(89)31(11)72(15)38(78)22-70(13)57(85)34-20-35(76)30(10)75(34)59(87)43(25(3)4)67-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,77H,19-23,64H2,1-16H3,(H,66,83)(H,67,84)(H,68,81)(H,69,82)/t28?,30?,31-,32?,34-,36?,37?,42+,43+,44-,46-,48-,49-/m0/s1 |
| SMILES | C[C@H]1C(=O)OC([C@@H](C(=O)N[C@@H](C(=O)N2[C@@H](CC(=O)C2C)C(=O)N(CC(=O)N1C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)N[C@H]6C(OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7C(CC(N7C(=O)[C@H](NC6=O)C(C)C)C)O)C)C)C(C)C)C)C)N)CCl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lackner, H; Bahner, I; Shigematsu, N; Pannell, L K; Mauger, A B Structures of five components of the actinomycin Z complex from Streptomyces fradiae, two of which contain 4-chlorothreonine Journal of Natural Products 2000 63 (3) 352-356. | ||
|---|---|---|---|
| DOI | 10.1021/np990416u | PMID | 10757717 |
