Entry |
|
Name |
2-Propyl-2,4-pentadienoic acid;
2,4-Diene-VPA
|
Formula |
C8H12O2
|
Exact mass |
140.0837
|
Mol weight |
140.1797
|
Structure |
|
Reaction |
|
Pathway |
map00982 | Drug metabolism - cytochrome P450 |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0102 Branched fatty acids
C16656 2-Propyl-2,4-pentadienoic acid
|
Other DBs |
|
KCF data |
ATOM 10
1 C2c C 25.5270 -20.1482
2 C2b C 25.5270 -18.7700
3 C1b C 24.3182 -20.8665
4 C6a C 26.7301 -20.8665
5 C2b C 24.3124 -18.0633
6 C1b C 23.1093 -20.1482
7 O6a O 26.7301 -22.2623
8 O6a O 27.9389 -20.1482
9 C2a C 23.1036 -18.7700
10 C1a C 21.9065 -20.8665
BOND 9
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 2
9 6 10 1
|