KEGG   COMPOUND: C16461Help
Entry
C16461                      Compound                               

Name
Geranic acid;
3,7-Dimethylocta-2,6-dienoate;
Geranate
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00281  Geraniol degradation
map01130  Biosynthesis of antibiotics
Enzyme
1.2.1.86        2.8.3.-
Other DBs
CAS: 459-80-3
PubChem: 47205757
ChEBI: 67264
ChEMBL: CHEMBL170190
PDB-CCD: 58X[PDBj]
NIKKAJI: J400F
KCF data Show

ATOM        12
            1   C1a C    22.1428  -23.8005
            2   C2c C    23.3553  -23.1004
            3   C2b C    24.5677  -23.8005
            4   C1b C    25.7802  -23.1004
            5   C1b C    26.9927  -23.8005
            6   C2c C    28.2052  -23.1004
            7   C2b C    29.4176  -23.8005
            8   C6a C    30.6301  -23.1004
            9   O6a O    31.8426  -23.8005
            10  C1a C    23.3553  -21.7006
            11  C1a C    28.2052  -21.7004
            12  O6a O    30.6301  -21.7007
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     2  10 1
            10    6  11 1
            11    8  12 2

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