KEGG   COMPOUND: C19615
Entry
C19615                      Compound                               
Name
Hexadecanedioate;
Hexadecanedioic acid
Formula
C16H30O4
Exact mass
286.2144
Mol weight
286.407
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
map01100  Metabolic pathways
Enzyme
1.2.-.-
Other DBs
PubChem: 135626103
ChEBI: 73722
KNApSAcK: C00007429
PDB-CCD: RF8[PDBj]
LinkDB
KCF data

ATOM        20
            1   O6a O    30.8000  -21.6300
            2   C6a C    29.6100  -22.3300
            3   C1b C    28.3500  -21.6300
            4   C1b C    27.1600  -22.3300
            5   C1b C    25.9700  -21.6300
            6   C1b C    24.7100  -22.3300
            7   C1b C    23.5200  -21.6300
            8   C1b C    22.3300  -22.3300
            9   C1b C    21.0700  -21.6300
            10  C1b C    19.8800  -22.3300
            11  C1b C    18.6900  -21.6300
            12  C1b C    17.4300  -22.3300
            13  C1b C    16.2400  -21.6300
            14  C1b C    15.0500  -22.3300
            15  C1b C    13.8600  -21.6300
            16  C1b C    12.6700  -22.3300
            17  C6a C    11.4800  -21.6300
            18  O6a O    10.2200  -22.3300
            19  O6a O    11.4800  -20.3000
            20  O6a O    29.6272  -23.7299
BOND        19
            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     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 2
            19    2  20 2

» Japanese version

KEGG   COMPOUND: C19618
Entry
C19618                      Compound                               
Name
Octadec-9-ene-1,18-dioic-acid
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.2.-.-
Other DBs
PubChem: 135626106
ChEBI: 176959
LinkDB
KCF data

ATOM        22
            1   C1b C    17.2799  -16.0916
            2   C1b C    18.4471  -16.8469
            3   C1b C    16.1126  -16.8469
            4   C2b C    19.6830  -16.0916
            5   C1b C    14.8767  -16.0916
            6   C2b C    21.0562  -16.0916
            7   C1b C    13.7095  -16.8469
            8   C1b C    22.2235  -16.8469
            9   C1b C    12.5422  -16.0916
            10  C1b C    23.3907  -16.0916
            11  C1b C    11.3750  -16.8469
            12  C1b C    24.6266  -16.8469
            13  C6a C    10.1391  -16.0916
            14  C1b C    25.7939  -16.0916
            15  O6a O     8.9719  -16.8469
            16  O6a O    10.1391  -14.7184
            17  C1b C    26.9611  -16.8469
            18  C1b C    28.1283  -16.0916
            19  C1b C    29.3642  -16.8469
            20  C6a C    30.5315  -16.0916
            21  O6a O    31.7721  -16.7264
            22  O6a O    30.4609  -14.7012
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 2
            21   20  22 1

» Japanese version

KEGG   COMPOUND: C19625
Entry
C19625                      Compound                               
Name
Docosanedioate;
Docosanedioic acid
Formula
C22H42O4
Exact mass
370.3083
Mol weight
370.5665
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.2.-.-
Other DBs
PubChem: 135626113
ChEBI: 76319
LIPIDMAPS: LMFA01170037
LinkDB
KCF data

ATOM        26
            1   O6a O     6.9985  -15.3278
            2   C6a C     8.2108  -16.0277
            3   C1b C     9.4231  -15.3278
            4   C1b C    10.6353  -16.0277
            5   C1b C    11.8475  -15.3278
            6   C1b C    13.0599  -16.0277
            7   C1b C    14.2721  -15.3278
            8   C1b C    15.4843  -16.0277
            9   C1b C    16.6966  -15.3278
            10  C1b C    17.9089  -16.0277
            11  C1b C    19.1212  -15.3278
            12  C1b C    20.3334  -16.0277
            13  C1b C    21.5457  -15.3278
            14  C1b C    22.7580  -16.0277
            15  C1b C    23.9702  -15.3278
            16  C1b C    25.1824  -16.0277
            17  C1b C    26.3948  -15.3278
            18  C1b C    27.6070  -16.0277
            19  C1b C    28.8192  -15.3278
            20  C1b C    30.0315  -16.0277
            21  C1b C    31.2438  -15.3278
            22  C1b C    32.4560  -16.0277
            23  O6a O     8.2108  -17.4273
            24  C6a C    33.6823  -15.3196
            25  O6a O    34.8848  -16.0139
            26  O6a O    33.6822  -13.9301
BOND        25
            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     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22    2  23 2
            23   22  24 1
            24   24  25 2
            25   24  26 1

» Japanese version

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