| Name |
Hexanoyl-CoA |
| Formula |
C27H46N7O17P3S |
| Mw |
865.1883733 |
| CAS RN |
5060-32-2 |
| C_ID |
C00053315
|
| InChIKey |
OEXFMSFODMQEPE-HDRQGHTBSA-N |
| InChICode |
InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1 |
| SMILES |
CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cannabaceae | Cannabis inflorescences | Ref. |
|
|
zoom in
| Organism | Cannabis inflorescences |
|---|
| Reference | Jin, D. et al., Sci. Rep., 10, (2020), 3309. |
|---|
|
