Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017608
PROPERTIES
| NPAID | NPA017608 |
|---|---|
| CLUSTER ID | 159 |
| NODE ID | 150 |
| NAME | Ubiquinone-40 |
| FORMULA | C49H74O4 |
| MOLECULAR WEIGHT (Da) | 727.1270 |
| ACCURATE MASS (Da) | 726.5587 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chromatium |
| ORIGIN SPECIES | vinosum |
| InChIKey | ICFIZJQGJAJRSU-SGHXUWJISA-N |
| InChI | InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ |
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Osnitskaya, LK; Threlfall, DR; Goodwin, TW Ubiquinone-40 and vitamin K2 (40) in Chromatium vinosum Nature 1964 204 (4953) 80-81. | ||
|---|---|---|---|
| DOI | 10.1038/204080b0 | PMID | 14240125 |
