Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031377
PROPERTIES
| NPAID | NPA031377 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 35 |
| NAME | Bactoprenol (undecaprenol) |
| FORMULA | C55H90O |
| MOLECULAR WEIGHT (Da) | 767.3240 |
| ACCURATE MASS (Da) | 766.6992 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lactobacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | TXKJNHBRVLCYFX-NTDVEAECSA-N |
| InChI | InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43- |
| SMILES | CC(C)=CCC/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\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | KJI Thorne and E Kodicek The structure of bactoprenol, a lipid formed by lactobacilli from mevalonic acid. Biochemical Journal 1966 99 (1) 123-127. | ||
|---|---|---|---|
| DOI | 10.1042/bj0990123 | PMID | 5965329 |
