KEGG   COMPOUND: C21202
Entry
C21202                      Compound                               

Name
cis-2-Dodecenoic acid;
BDSF
Formula
C12H22O2
Exact mass
198.162
Mol weight
198.3019
Structure
Pathway
map02024  Quorum sensing
Other DBs
CAS: 55928-65-9
PubChem: 316933500
ChEMBL: CHEMBL4293570
PDB-CCD: GEY[PDBj]
KCF data

ATOM        14
            1   C1b C    12.4479  -15.0982
            2   C1b C    13.6584  -15.7972
            3   C1b C    14.8692  -15.0982
            4   C1b C    16.0799  -15.7972
            5   C1b C    17.2905  -15.0982
            6   C1b C    18.5013  -15.7972
            7   C1b C    19.7119  -15.0982
            8   C1b C    20.9225  -15.7972
            9   C2b C    22.1333  -15.0982
            10  C1a C    11.2372  -15.7972
            11  C2b C    23.5313  -15.0982
            12  C6a C    24.7724  -15.7972
            13  O6a O    25.9831  -15.0982
            14  O6a O    24.7798  -17.1949
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10    9  11 2
            11   11  12 1
            12   12  13 2
            13   12  14 1

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