| Collection |
D4 : TTD |
| Chemical Name |
Acetoacetyl-Coenzyme A ( From PubChem : A C E T O A C E T Y L - C O A ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 851.607 g/mol |
9 |
26 |
0.0068 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 4 0 N 7 O 1 8 P 3 S / c 1 - 1 3 ( 3 3 ) 8 - 1 6 ( 3 5 ) 5 4 - 7 - 6 - 2 7 - 1 5 ( 3 4 ) 4 - 5 - 2 8 - 2 3 ( 3 8 ) 2 0 ( 3 7 ) 2 5 ( 2 , 3 ) 1 0 - 4 7 - 5 3 ( 4 4 , 4 5 ) 5 0 - 5 2 ( 4 2 , 4 3 ) 4 6 - 9 - 1 4 - 1 9 ( 4 9 - 5 1 ( 3 9 , 4 0 ) 4 1 ) 1 8 ( 3 6 ) 2 4 ( 4 8 - 1 4 ) 3 2 - 1 2 - 3 1 - 1 7 - 2 1 ( 2 6 ) 2 9 - 1 1 - 3 0 - 2 2 ( 1 7 ) 3 2 / h 1 1 - 1 2 , 1 4 , 1 8 - 2 0 , 2 4 , 3 6 - 3 7 H , 4 - 1 0 H 2 , 1 - 3 H 3 , ( H , 2 7 , 3 4 ) ( H , 2 8 , 3 8 ) ( H , 4 2 , 4 3 ) ( H , 4 4 , 4 5 ) ( H 2 , 2 6 , 2 9 , 3 0 ) ( H 2 , 3 9 , 4 0 , 4 1 ) / t 1 4 - , 1 8 - , 1 9 - , 2 0 + , 2 4 - / m 1 / s 1 |
| InChIKey |
O J F D K H T Z O U Z B O S - C I T A K D K D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HMGCS2 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
