KEGG   COMPOUND: C16462
Entry
C16462                      Compound                               

Name
Citronellate;
Citronellic acid;
3,7-Dimethyl-6-octenoic acid
Formula
C10H18O2
Exact mass
170.1307
Mol weight
170.2487
Structure
Reaction
Pathway
map00281  Geraniol degradation
Enzyme
1.2.1.-         6.2.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C16462  3,7-Dimethyl-6-octenoic acid
Other DBs
CAS: 502-47-6
PubChem: 47205758
ChEBI: 80507
ChEMBL: CHEMBL2288023
NIKKAJI: J11.776E
LinkDB
KCF data

ATOM        12
            1   C1c C    28.1686  -23.1000
            2   C1b C    26.9558  -23.8057
            3   C1b C    29.3816  -23.7997
            4   C1a C    28.1686  -21.7005
            5   C1b C    25.7487  -23.1117
            6   C6a C    30.5944  -23.0942
            7   C2b C    24.5416  -23.8114
            8   O6a O    31.8074  -23.7940
            9   C2c C    23.3288  -23.1176
            10  C1a C    22.1158  -23.8231
            11  C1a C    23.3288  -21.7121
            12  O6a O    30.5919  -21.7000
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 2
            9     9  10 1
            10    9  11 1
            11    6  12 1

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