KEGG   COMPOUND: C16656Help
Entry
C16656                      Compound                               

Name
2-Propyl-2,4-pentadienoic acid;
2,4-Diene-VPA
Formula
C8H12O2
Exact mass
140.0837
Mol weight
140.1797
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 72010-18-5
PubChem: 51090980
ChEBI: 80642
ChEMBL: CHEMBL3706507
NIKKAJI: J391.097K
KCF data Show

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

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