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 searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Metabolic pathways
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: 
ChEBI: 
3DMET: 
NIKKAJI: 
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

» Japanese version

DBGET integrated database retrieval system