Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022073
PROPERTIES
| NPAID | NPA022073 |
|---|---|
| CLUSTER ID | 164 |
| NODE ID | 155 |
| NAME | Actinomycin Y9 |
| FORMULA | C61H82N12O17 |
| MOLECULAR WEIGHT (Da) | 1255.3940 |
| ACCURATE MASS (Da) | 1254.5921 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. strain Gö-GS12 |
| InChIKey | GFBDGRVUEMCJNL-FSUOYHKDSA-N |
| InChI | InChI=1S/C61H82N12O17/c1-25(2)42-58(84)72-22-34(74)21-37(72)57(83)69(14)23-38(75)70(15)31(10)60(86)88-32(11)45(55(81)64-42)67-53(79)40-41(62)49(77)30(9)51-47(40)63-46-35(19-17-28(7)50(46)90-51)52(78)66-44-33(12)89-61(87)48(27(5)6)71(16)39(76)24-68(13)56(82)36-20-18-29(8)73(36)59(85)43(26(3)4)65-54(44)80/h17,19,25-27,29,31-33,36-37,42-45,48H,18,20-24,62H2,1-16H3,(H,64,81)(H,65,80)(H,66,78)(H,67,79)/t29-,31-,32+,33+,36-,37-,42+,43+,44-,45-,48-/m0/s1 |
| SMILES | C[C@H]1CC[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(=O)CN7C(=O)[C@H](NC6=O)C(C)C)C)C)C)C)N)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Wenlong; Wang, Xiachang; Elshahawi, Sherif I.; Ponomareva, Larissa V.; Liu, Xiaodong; McErlean, Matthew R.; Cui, Zheng; Arlinghaus, Ashley L.; Thorson, Jon S.; Van Lanen, Steven G. Antibacterial and Cytotoxic Actinomycins Y6-Y9 and Zp from Streptomyces sp. Strain Gö-GS12 Journal of Natural Products 2016 79 (10) 2731-2739. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00742 | PMID | 27736087 |
