Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021147
PROPERTIES
| NPAID | NPA021147 |
|---|---|
| CLUSTER ID | 2158 |
| NODE ID | 1370 |
| NAME | Thiocillin II |
| FORMULA | C49H51N13O10S6 |
| MOLECULAR WEIGHT (Da) | 1174.4300 |
| ACCURATE MASS (Da) | 1173.2206 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | cereus G-15 |
| InChIKey | UJNDUGQLLYFVMS-VQTFYOPQSA-N |
| InChI | InChI=1S/C49H51N13O10S6/c1-9-24(37(65)50-13-20(3)63)52-38(66)28-16-75-46(57-28)32-19-76-45(59-32)26-12-11-23-35(51-26)27-14-77-47(54-27)34(22(5)72-8)61-40(68)30-18-78-48(58-30)36(49(6,7)71)62-41(69)31-17-74-44(56-31)25(10-2)53-42(70)33(21(4)64)60-39(67)29-15-73-43(23)55-29/h9-12,14-22,33-34,36,63-64,71H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b24-9+,25-10+/t20-,21+,22-,33-,34-,36-/m0/s1 |
| SMILES | C/C=C/1\C2=NC(=CS2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NC[C@H](C)O)C8=NC(=CS8)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)[C@H](C)OC)C(C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shoji J; Hinoo H; Wakisaka Y; Koizumi K; Mayama M Isolation of three new antibiotics, thiocillins I, II and III, related to micrococcin P. Studies on antibiotics from the genus Bacillus. VIII. Journal of Antibiotics 1976 29 (4) 366-374. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.29.366 | PMID | 819410 |
