KEGG   COMPOUND: C05260Help
Entry
C05260                      Compound                               

Name
(S)-3-Hydroxytetradecanoyl-CoA
Formula
C35H62N7O18P3S
Exact mass
993.3085
Mol weight
993.8892
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Metabolic pathways
Fatty acid metabolism
Enzyme
1.1.1.35        1.1.1.211       4.2.1.17        4.2.1.74
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        64
            1   C1b C    16.3324  -20.5800
            2   C5a C    17.5449  -19.8800
            3   S2a S    18.7573  -20.5800
            4   C1b C    19.9697  -19.8800
            5   C1b C    21.1822  -20.5800
            6   N1b N    22.3946  -19.8800
            7   C5a C    23.6070  -20.5800
            8   C1b C    24.8195  -19.8800
            9   C1b C    26.0319  -20.5800
            10  N1b N    27.2444  -19.8800
            11  C5a C    28.4568  -20.5800
            12  C1c C    29.6692  -19.8800
            13  C1d C    30.8817  -20.5800
            14  C1b C    32.0941  -19.8800
            15  O2b O    33.3065  -20.5800
            16  O5a O    17.5449  -18.4802
            17  O5a O    23.6070  -21.9799
            18  O5a O    28.4568  -21.9796
            19  O1a O    29.6692  -18.4800
            20  C1a C    30.8817  -19.1800
            21  C1a C    30.8817  -21.9800
            22  P1b P    34.7065  -20.5800
            23  O1c O    36.1065  -20.5800
            24  O1c O    34.7065  -21.9800
            25  C1y C    28.2100  -15.6100
            26  C1y C    29.6100  -15.6100
            27  C1y C    30.0426  -14.2785
            28  O2x O    28.9100  -13.4556
            29  C1y C    27.7774  -14.2785
            30  C1b C    31.3622  -13.8497
            31  O1a O    27.3871  -16.7426
            32  O2b O    30.4329  -16.7426
            33  P1b P    31.8329  -16.7426
            34  O1c O    31.8329  -15.3426
            35  O1c O    33.2329  -16.7426
            36  O1c O    31.8329  -18.1426
            37  C8y C    23.6600  -12.4600
            38  C8y C    23.6600  -13.8600
            39  N4y N    26.0849  -13.8600
            40  C8x C    26.0849  -12.4600
            41  N5x N    24.8724  -11.7600
            42  C8y C    22.4476  -11.7600
            43  N5x N    21.2351  -12.4600
            44  C8x C    21.2351  -13.8600
            45  N5x N    22.4476  -14.5600
            46  N1a N    22.4476  -10.3602
            47  O2b O    33.3445  -14.2820
            48  P1b P    34.7445  -14.2820
            49  O1c O    34.7445  -12.8820
            50  O1c O    36.1445  -14.2820
            51  O2c O    34.7445  -17.5020
            52  C1c C    15.0976  -19.8800
            53  C1b C    13.8851  -20.5800
            54  C1b C    12.6727  -19.8800
            55  C1b C    11.4603  -20.5800
            56  C1b C    10.2478  -19.8800
            57  C1b C     9.0354  -20.5800
            58  C1b C     7.8230  -19.8800
            59  C1b C     6.6105  -20.5800
            60  C1b C     5.3981  -19.8800
            61  C1b C     4.1856  -20.5800
            62  C1b C     2.9732  -19.8800
            63  C1a C     1.7608  -20.5800
            64  O1a O    15.0920  -18.4803
BOND        66
            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   52  64 1 #Down

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