KEGG   COMPOUND: C02678Help
Entry
C02678                      Compound                               

Name
Dodecanedioic acid
Formula
C12H22O4
Exact mass
230.1518
Mol weight
230.3007
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C02678  Dodecanedioic acid
BRITE hierarchy
Other DBs
CAS: 
693-23-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C6a C    30.4756  -16.9379
            2   C1b C    29.2641  -16.2421
            3   O6a O    30.4692  -18.3426
            4   O6a O    31.6870  -16.2355
            5   C1b C    28.0463  -16.9379
            6   C1b C    26.8349  -16.2421
            7   C1b C    25.6236  -16.9379
            8   C1b C    24.4056  -16.2421
            9   C1b C    23.1944  -16.9379
            10  C1b C    21.9764  -16.2421
            11  C1b C    20.7651  -16.9379
            12  C1b C    19.5537  -16.2421
            13  C1b C    18.3359  -16.9379
            14  C6a C    17.1244  -16.2421
            15  O6a O    17.1308  -14.8374
            16  O6a O    15.9130  -16.9445
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   14  16 1

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