Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716851 | Gold | 3 |
| CCMSLIB00005716853 | Gold | 3 |
COMPOUND NPA012763
PROPERTIES
| NPAID | NPA012763 |
|---|---|
| CLUSTER ID | 4738 |
| NODE ID | 3439 |
| NAME | Siomycin A |
| FORMULA | C71H81N19O18S5 |
| MOLECULAR WEIGHT (Da) | 1648.8790 |
| ACCURATE MASS (Da) | 1647.4611 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sioyaensis |
| InChIKey | AKFVOKPQHFBYCA-UHFFFAOYSA-N |
| InChI | InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99) |
| SMILES | CC=C1C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(=NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ebata, Mitsuo; MIYAZAKI, KUNIKO; OTSUKA, HIDEO Studies on siomycin. II The composition and degradation products of Siomycin A Journal of Antibiotics 1969 22 (9) 423-433. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.22.423 | PMID | - |
SYNTHESES
| CITATION 1 | Mori T; Higashibayashi S; Goto T; Kohno M; Satouchi Y; Shinko K; Suzuki K; Suzuki S; Tohmiya H; Hashimoto K; Nakata M Total synthesis of siomycin A: completion of the total synthesis. Chemistry – An Asian Journal 2008 3 (6) 1013-1025. DOI: 10.1002/asia.200800033 PMID: 18464235 | ||
|---|---|---|---|
| CITATION 2 | Mori T; Higashibayashi S; Goto T; Kohno M; Satouchi Y; Shinko K; Suzuki K; Suzuki S; Tohmiya H; Hashimoto K; Nakata M Total synthesis of siomycin A: construction of synthetic segments. Chemistry - An Asian Journal 2008 3 (6) 984-1012. DOI: 10.1002/asia.200800032 PMID: 18464237 | ||
