KEGG   COMPOUND: C16308Help
Entry
C16308                      Compound                               

Name
Traumatic acid;
(2E)-Dodecenedioic acid;
Dodec-2-enedioic acid
Formula
C12H20O4
Exact mass
228.1362
Mol weight
228.2848
Structure
Mol fileKCF fileDB search
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Other DBs
CAS: 6402-36-4
PubChem: 47205616
ChEBI: 545687
ChEMBL: CHEMBL470062
LIPIDMAPS: LMFA01170002
NIKKAJI: J5.789D
LinkDB All DBs
KCF data Show

ATOM        16
            1   O6a O    12.9697  -20.3700
            2   C6a C    14.1822  -19.6700
            3   C2b C    15.3946  -20.3700
            4   C2b C    16.6070  -19.6700
            5   C1b C    17.8195  -20.3700
            6   C1b C    19.0319  -19.6700
            7   C1b C    20.2444  -20.3700
            8   C1b C    21.4568  -19.6700
            9   C1b C    22.6692  -20.3700
            10  C1b C    23.8817  -19.6700
            11  C1b C    25.0941  -20.3700
            12  C1b C    26.3065  -19.6700
            13  C6a C    27.5190  -20.3700
            14  O6a O    28.7314  -19.6700
            15  O6a O    27.5190  -21.7700
            16  O6a O    14.1822  -18.2703
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   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 2
            14   13  15 1
            15    2  16 1

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