KEGG   COMPOUND: C16649Help
Entry
C16649                      Compound                               

Name
4-Hydroxyvalproic acid;
2-n-Propyl-4-hydroxypentanoic acid;
4-OH-VPA
Formula
C8H16O3
Exact mass
160.1099
Mol weight
160.2108
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
    C16649  4-Hydroxyvalproic acid
BRITE hierarchy
Other DBs
CAS: 60113-82-8
PubChem: 51090973
ChEBI: 80635
ChEMBL: CHEMBL3706504
LIPIDMAPS: LMFA01050496
NIKKAJI: J362.523K
KCF data Show

ATOM        11
            1   C1c C    25.5270  -20.1482
            2   C1b C    25.5270  -18.7700
            3   C1b C    24.3182  -20.8665
            4   C6a C    26.7301  -20.8665
            5   C1c 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   C1a C    23.1036  -18.7700
            10  C1a C    21.9065  -20.8665
            11  O1a O    24.3110  -16.6602
BOND        10
            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 1
            9     6  10 1
            10    5  11 1

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