Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009917
PROPERTIES
| NPAID | NPA009917 |
|---|---|
| CLUSTER ID | 1443 |
| NODE ID | 1197 |
| NAME | Cyclothiazomycin b1 |
| FORMULA | C61H69N21O13S7 |
| MOLECULAR WEIGHT (Da) | 1528.8260 |
| ACCURATE MASS (Da) | 1527.3429 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. A307 |
| InChIKey | GMFKDKZZMAPRGJ-GLERVACHSA-N |
| InChI | InChI=1S/C61H69N21O13S7/c1-6-28-49(90)81-61(5)59(95)80-30(10-8-14-65-60(63)64)45(86)66-17-42(84)69-29(7-2)57(92)82-15-9-11-40(82)50(91)67-25(3)43-27(44(85)72-32(16-41(62)83)53-74-34(19-97-53)47(88)71-28)12-13-31(70-43)52-78-37(22-100-52)54-75-33(18-98-54)46(87)68-26(4)51-77-36(21-96-51)56-79-38(23-101-56)55-76-35(20-99-55)48(89)73-39(24-102-61)58(93)94/h6-7,12-13,21-23,25,30,32-35,39-40H,4,8-11,14-20,24H2,1-3,5H3,(H2,62,83)(H,66,86)(H,67,91)(H,68,87)(H,69,84)(H,71,88)(H,72,85)(H,73,89)(H,80,95)(H,81,90)(H,93,94)(H4,63,64,65)/b28-6-,29-7-/t25-,30-,32-,33+,34?,35+,39-,40-,61?/m0/s1 |
| SMILES | C/C=C\1/C(=O)NC2(C(=O)N[C@H](C(=O)NCC(=O)N/C(=C\C)/C(=O)N3CCC[C@H]3C(=O)N[C@H](C4=C(C=CC(=N4)C5=NC(=CS5)C6=N[C@H](CS6)C(=O)NC(=C)C7=NC(=CS7)C8=NC(=CS8)C9=N[C@H](CS9)C(=O)N[C@@H](CS2)C(=O)O)C(=O)N[C@H](C2=NC(CS2)C(=O)N1)CC(=O)N)C)CCCNC(=N)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hashimoto, Masaru; Murakami, Takanori; Funahashi, Katsuyuki; Tokunaga, Takashi; Nihei, Ken-ichi; Okuno, Toshikatsu; Kimura, Takatsugu; Naoki, Hideo; Himeno, Hyouta An RNA polymerase inhibitor, cyclothiazomycin B1, and its isomer. Bioorganic and Medicinal Chemistry 2006 14 (24) 8259-8270. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2006.09.006 | PMID | - |
