Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005678
PROPERTIES
| NPAID | NPA005678 |
|---|---|
| CLUSTER ID | 2752 |
| NODE ID | 2127 |
| NAME | Octahydroheptaprenyl mycolic acyl ester |
| FORMULA | C93H178O3 |
| MOLECULAR WEIGHT (Da) | 1344.4440 |
| ACCURATE MASS (Da) | 1343.3776 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | chlorophenolicum |
| InChIKey | PKRWEVLTIROLCB-XTAAYNLOSA-N |
| InChI | InChI=1S/C93H178O3/c1-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-81-92(94)91(80-60-58-56-54-52-50-48-46-28-26-24-22-20-18-16-14-12-2)93(95)96-83-82-90(10)79-67-78-89(9)77-66-76-88(8)75-65-74-87(7)73-64-72-86(6)71-63-70-85(5)69-62-68-84(3)4/h33-34,76,78,82,84-87,91-92,94H,11-32,35-75,77,79-81,83H2,1-10H3/b34-33-,88-76-,89-78-,90-82- |
| SMILES | CCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCC)O)C(=O)OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | SATO, Tsutomu; TAKAGI, Ryosuke; ORITO, Yuriko; ONO, Eri; HOSHINO, Tsutomu Novel Compounds of Octahydroheptaprenyl Mycolic Acyl Ester and Monocyclic C35-Terpene, Heptaprenylcycline B, from Non-Pathogenic Mycobacterium Species Bioscience Biotechnology and Biochemistry 2010 74 (1) 147-151. | ||
|---|---|---|---|
| DOI | 10.1271/bbb.90669 | PMID | 20057120 |
