Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716855 | Gold | 3 |
COMPOUND NPA012710
PROPERTIES
| NPAID | NPA012710 |
|---|---|
| CLUSTER ID | 4738 |
| NODE ID | 3439 |
| NAME | Siomycin C |
| FORMULA | C72H82N18O19S5 |
| MOLECULAR WEIGHT (Da) | 1663.8900 |
| ACCURATE MASS (Da) | 1662.4607 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sioyaensis |
| InChIKey | GJTQKLKJLXFSOM-FDYYQTTASA-N |
| InChI | InChI=1S/C72H82N18O19S5/c1-15-38-64-83-45(23-110-64)61(102)89-53(71(13,107)35(12)93)67-85-44(24-113-67)59(100)88-49-34(11)109-69(106)41-20-37(32(9)91)36-16-17-39(51(94)50(36)79-41)78-47(26(2)3)62(103)76-29(6)55(96)73-27(4)54(95)74-30(7)57(98)90-72(70-86-46(25-114-70)60(101)87-48(33(10)92)63(104)81-38)19-18-40(80-52(72)42-21-112-66(49)82-42)65-84-43(22-111-65)58(99)75-28(5)56(97)77-31(8)68(105)108-14/h15-17,20-22,24-26,30,32-35,39,45,47-49,51-53,78,91-94,107H,4-6,8,18-19,23H2,1-3,7,9-14H3,(H,73,96)(H,74,95)(H,75,99)(H,76,103)(H,77,97)(H,81,104)(H,87,101)(H,88,100)(H,89,102)(H,90,98)/b38-15-/t30-,32+,33+,34-,35+,39-,45+,47?,48?,49?,51+,52-,53-,71?,72?/m1/s1 |
| SMILES | C/C=C\1/C2=N[C@@H](CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)NC4[C@H](OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C(=O)NC7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)OC)C2=NC(=CS2)C(=O)NC(C(=O)N1)[C@H](C)O)C)C(C)C)C(=C5)[C@H](C)O)C)C(C)([C@H](C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ebata, M; Miyazaki, K; Otsuka, H Studies on siomycin. I. Physicochemical properties of siomycins A, B and C Journal of Antibiotics 1969 22 (8) 364-368. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.22.364 | PMID | 4310238 |
