KEGG   COMPOUND: C16658
Entry
C16658                      Compound                               

Name
2-Propylglutaric acid;
2-PGA
Formula
C8H14O4
Exact mass
174.0892
Mol weight
174.1944
Structure
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Other DBs
CAS: 32806-62-5
PubChem: 51090982
ChEBI: 80644
ChEMBL: CHEMBL3706509
NIKKAJI: J362.517F
LinkDB
KCF data

ATOM        12
            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   C1b 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  C6a C    21.9065  -20.8665
            11  O6a O    20.6838  -20.1844
            12  O6a O    21.9271  -22.2599
BOND        11
            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   10  11 1
            11   10  12 2

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