KEGG   COMPOUND: C05259Help
Entry
C05259                      Compound                               

Name
3-Oxopalmitoyl-CoA;
3-Ketopalmitoyl-CoA;
3-Oxohexadecanoyl-CoA
Formula
C37H64N7O18P3S
Exact mass
1019.3241
Mol weight
1019.9264
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Module
M00087  beta-Oxidation
Enzyme
1.1.1.35        1.1.1.211       2.3.1.16        2.3.1.155
Other DBs
PubChem: 7646
ChEBI: 15491
3DMET: B04988
NIKKAJI: J2.755.078I
LinkDB All DBs
KCF data Show

ATOM        66
            1   C1b C    21.1624  -21.7000
            2   C5a C    22.3749  -21.0000
            3   S2a S    23.5873  -21.7000
            4   C1b C    24.7997  -21.0000
            5   C1b C    26.0122  -21.7000
            6   N1b N    27.2246  -21.0000
            7   C5a C    28.4370  -21.7000
            8   C1b C    29.6495  -21.0000
            9   C1b C    30.8619  -21.7000
            10  N1b N    32.0744  -21.0000
            11  C5a C    33.2868  -21.7000
            12  C1c C    34.4992  -21.0000
            13  C1d C    35.7117  -21.7000
            14  C1b C    36.9241  -21.0000
            15  O2b O    38.1365  -21.7000
            16  O5a O    22.3749  -19.6002
            17  O5a O    28.4370  -23.0999
            18  O5a O    33.2868  -23.0996
            19  O1a O    34.4992  -19.6000
            20  C1a C    35.7117  -20.3000
            21  C1a C    35.7117  -23.1000
            22  P1b P    39.5365  -21.7000
            23  O1c O    40.9365  -21.7000
            24  O1c O    39.5365  -23.1000
            25  C1y C    33.0400  -16.7300
            26  C1y C    34.4400  -16.7300
            27  C1y C    34.8726  -15.3985
            28  O2x O    33.7400  -14.5756
            29  C1y C    32.6074  -15.3985
            30  C1b C    36.1922  -14.9697
            31  O1a O    32.2171  -17.8626
            32  O2b O    35.2629  -17.8626
            33  P1b P    36.6629  -17.8626
            34  O1c O    36.6629  -16.4626
            35  O1c O    38.0629  -17.8626
            36  O1c O    36.6629  -19.2626
            37  C8y C    28.4900  -13.5800
            38  C8y C    28.4900  -14.9800
            39  N4y N    30.9149  -14.9800
            40  C8x C    30.9149  -13.5800
            41  N5x N    29.7024  -12.8800
            42  C8y C    27.2776  -12.8800
            43  N5x N    26.0651  -13.5800
            44  C8x C    26.0651  -14.9800
            45  N5x N    27.2776  -15.6800
            46  N1a N    27.2776  -11.4802
            47  O2b O    38.1745  -15.4020
            48  P1b P    39.5745  -15.4020
            49  O1c O    39.5745  -14.0020
            50  O1c O    40.9745  -15.4020
            51  O2c O    39.5745  -18.6220
            52  C5a C    19.9276  -21.0000
            53  C1b C    18.7151  -21.7000
            54  C1b C    17.5027  -21.0000
            55  C1b C    16.2903  -21.7000
            56  C1b C    15.0778  -21.0000
            57  C1b C    13.8654  -21.7000
            58  C1b C    12.6530  -21.0000
            59  C1b C    11.4405  -21.7000
            60  C1b C    10.2281  -21.0000
            61  C1b C     9.0156  -21.7000
            62  C1b C     7.8032  -21.0000
            63  C1b C     6.5908  -21.7000
            64  C1b C     5.3783  -21.0000
            65  C1a C     4.1659  -21.7000
            66  O5a O    19.9220  -19.6003
BOND        68
            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    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   52  66 2

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