Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024844
PROPERTIES
| NPAID | NPA024844 |
|---|---|
| CLUSTER ID | 1442 |
| NODE ID | 1194 |
| NAME | Cyclothiazomycin C |
| FORMULA | C60H67N19O13S7 |
| MOLECULAR WEIGHT (Da) | 1486.7850 |
| ACCURATE MASS (Da) | 1485.3211 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | rimosus NRRL WC-3908 |
| InChIKey | ZUDMXUJOZNUCIR-XRARMUINSA-N |
| InChI | InChI=1S/C60H67N19O13S7/c1-6-29-49(87)78-60(5)59(92)77-30(10-7-8-14-61)45(83)63-17-42(81)64-27(4)57(89)79-15-9-11-40(79)50(88)65-25(2)43-28(44(82)69-32(16-41(62)80)53-71-34(19-94-53)47(85)68-29)12-13-31(67-43)52-75-37(22-97-52)54-72-33(18-95-54)46(84)66-26(3)51-74-36(21-93-51)56-76-38(23-98-56)55-73-35(20-96-55)48(86)70-39(24-99-60)58(90)91/h6,12-13,21-23,25,30,32-35,39-40H,3-4,7-11,14-20,24,61H2,1-2,5H3,(H2,62,80)(H,63,83)(H,64,81)(H,65,88)(H,66,84)(H,68,85)(H,69,82)(H,70,86)(H,77,92)(H,78,87)(H,90,91)/b29-6-/t25-,30+,32+,33+,34+,35-,39+,40+,60+/m1/s1 |
| SMILES | C/C=C\1/C(=O)N[C@@]2(C(=O)N[C@H](C(=O)NCC(=O)NC(=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=N[C@@H](CS2)C(=O)N1)CC(=O)N)C)CCCCN)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cox CL; Tietz JI; Sokolowski K; Melby JO; Doroghazi JR; Mitchell DA Nucleophilic 1,4-additions for natural product discovery. ACS Chemical Biology 2014 9 (9) 2014-2022. | ||
|---|---|---|---|
| DOI | 10.1021/cb500324n | PMID | 24937678 |
