| Name |
Acetoacetyl-CoA
Acetoacetyl CoA |
| Formula |
C25H40N7O18P3S |
| Mw |
851.13633773 |
| CAS RN |
1420-36-6 |
| C_ID |
C00007269
, 
|
| InChIKey |
OJFDKHTZOUZBOS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18+,19+,20-,24+/m1/s1 |
| SMILES |
n1cnc2c(c1N)ncn2[C@H]1O[C@@H]([C@@H]([C@@H]1O)OP(=O)(O)O)CO[P@@](=O)(O[P@@](=O)(OCC([C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)C)O)(C)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Enterobacteriaceae | Escherichia coli | Ref. |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
| Plantae | Asteraceae | Chamaemelum nobile | Ref. |
| Plantae | Asteraceae | Matricaria recutita | Ref. |
| Plantae | Celastraceae | Tripterygium wilfordii | Ref. |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
| Plantae | Cucurbitaceae | Momordica charantia | Ref. |
| Plantae | Rutaceae | Clausena lansium | Ref. |
| Plantae | Santalaceae | Santalum album | Ref. |
| - | - | Sertia mussotii | Ref. |
|
|
zoom in
| Organism | Asparagus officinalis |
|---|
| Reference | Yi, T. G. et al. PLoS ONE, 14, (2019), e0219973. |
|---|
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