KEGG   COMPOUND: C21399
Entry
C21399                      Compound                               
Name
Isocaproate;
4-Methylpentanoate
Formula
C6H12O2
Exact mass
116.0837
Mol weight
116.1583
Structure
Reaction
Enzyme
Other DBs
PubChem: 328082942
PDB-CCD: 4MV[PDBj]
KCF data

ATOM        8
            1   C1b C    19.2206  -15.8002
            2   C1b C    18.0187  -16.4971
            3   C6a C    20.4289  -16.4971
            4   C1c C    16.8169  -15.8002
            5   O6a O    20.4545  -17.9483
            6   O6a O    21.6309  -15.7937
            7   C1a C    15.6084  -16.4971
            8   C1a C    16.8169  -14.4065
BOND        7
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1

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