KEGG   COMPOUND: C16648Help
Entry
C16648                      Compound                               

Name
2-n-Propyl-4-pentenoic acid;
4-En-valproic acid;
4-Ene-VPA
Formula
C8H14O2
Exact mass
142.0994
Mol weight
142.1956
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.-       1.14.14.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C16648  2-n-Propyl-4-pentenoic acid
BRITE hierarchy
Other DBs
CAS: 1575-72-0
PubChem: 51090972
ChEBI: 80634
ChEMBL: CHEMBL1367
LIPIDMAPS: LMFA01030982
NIKKAJI: J362.530C
LinkDB All DBs
KCF data Show

ATOM        10
            1   C1c C    25.5269  -20.1481
            2   C1b C    25.5269  -18.7699
            3   C1b C    24.3181  -20.8664
            4   C6a C    26.7300  -20.8664
            5   C2b C    24.3123  -18.0632
            6   C1b C    23.1092  -20.1481
            7   O6a O    26.7300  -22.2622
            8   O6a O    27.9388  -20.1481
            9   C2a C    23.1035  -18.7699
            10  C1a C    21.9064  -20.8664
BOND        9
            1     1   2 1
            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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