Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020716
PROPERTIES
| NPAID | NPA020716 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Thioxamycin |
| FORMULA | C52H48N16O15S4 |
| MOLECULAR WEIGHT (Da) | 1265.3210 |
| ACCURATE MASS (Da) | 1264.2368 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. PA-46025 |
| InChIKey | GATPMIKWKVOBMF-RIYVDESLSA-N |
| InChI | InChI=1S/C52H48N16O15S4/c1-19(38(70)55-20(2)41(73)60-25(7)52(80)81)54-39(71)21(3)56-43(75)28-11-10-27-37(62-28)29-13-82-48(64-29)23(5)58-40(72)22(4)57-45(77)32-17-86-50(66-32)24(6)59-44(76)31-16-85-35(61-31)12-53-42(74)30-14-83-49(65-30)34(15-84-9)63-47(79)36(26(8)69)68-46(78)33-18-87-51(27)67-33/h10-11,13-14,16-18,24,26,34,36,69H,1-5,7,12,15H2,6,8-9H3,(H,53,74)(H,54,71)(H,55,70)(H,56,75)(H,57,77)(H,58,72)(H,59,76)(H,60,73)(H,63,79)(H,68,78)(H,80,81)/t24-,26+,34+,36+/m0/s1 |
| SMILES | C[C@H]1C2=NC(=CS2)C(=O)NC(=C)C(=O)NC(=C)C3=NC(=CO3)C4=C(C=CC(=N4)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C5=NC(=CS5)C(=O)N[C@@H](C(=O)N[C@@H](C6=NC(=CO6)C(=O)NCC7=NC(=CS7)C(=O)N1)CSC)[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matsumoto M; Kawamura Y; Yasuda Y; Tanimoto T; Matsumoto K; Yoshida T; Shoji J ISOLATION AND CHARACTERIZATION OF THIOXAMYCIN Journal of Antibiotics 1989 42 (10) 1465-1469. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.42.1465 | PMID | 2808134 |
