KEGG   COMPOUND: C05998Help
Entry
C05998                      Compound                               

Name
3-Hydroxyisovaleryl-CoA;
3-Hydroxyisovaleryl coenzyme A
Formula
C26H44N7O18P3S
Exact mass
867.1676
Mol weight
867.6499
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   S2a S    12.3873  -20.5800
            2   C1b C    13.5997  -19.8800
            3   C1b C    14.8122  -20.5800
            4   N1b N    16.0246  -19.8800
            5   C5a C    17.2370  -20.5800
            6   C1b C    18.4495  -19.8800
            7   C1b C    19.6619  -20.5800
            8   N1b N    20.8744  -19.8800
            9   C5a C    22.0868  -20.5800
            10  C1c C    23.2992  -19.8800
            11  C1d C    24.5117  -20.5800
            12  C1b C    25.7241  -19.8800
            13  O2b O    26.9365  -20.5800
            14  O5a O    17.2370  -21.9799
            15  O5a O    22.0868  -21.9796
            16  O1a O    23.2992  -18.4800
            17  C1a C    24.5117  -19.1800
            18  C1a C    24.5117  -21.9800
            19  P1b P    28.3365  -20.5800
            20  O1c O    29.7365  -20.5800
            21  O1c O    28.3365  -21.9800
            22  C1y C    21.8400  -15.6100
            23  C1y C    23.2400  -15.6100
            24  C1y C    23.6726  -14.2785
            25  O2x O    22.5400  -13.4556
            26  C1y C    21.4074  -14.2785
            27  C1b C    24.9922  -13.8497
            28  O1a O    21.0171  -16.7426
            29  O2b O    24.0629  -16.7426
            30  P1b P    25.4629  -16.7426
            31  O1c O    25.4629  -15.3426
            32  O1c O    26.8629  -16.7426
            33  O1c O    25.4629  -18.1426
            34  C8y C    17.2900  -12.4600
            35  C8y C    17.2900  -13.8600
            36  N4y N    19.7149  -13.8600
            37  C8x C    19.7149  -12.4600
            38  N5x N    18.5024  -11.7600
            39  C8y C    16.0776  -11.7600
            40  N5x N    14.8651  -12.4600
            41  C8x C    14.8651  -13.8600
            42  N5x N    16.0776  -14.5600
            43  N1a N    16.0776  -10.3602
            44  O2b O    26.9745  -14.2820
            45  P1b P    28.3745  -14.2820
            46  O1c O    28.3745  -12.8820
            47  O1c O    29.7745  -14.2820
            48  O2c O    28.3745  -17.5020
            49  C5a C    11.1776  -19.8800
            50  C1b C     9.9651  -20.5800
            51  C1d C     8.7527  -19.8800
            52  O1a O     7.5382  -20.5812
            53  C1a C     9.4527  -18.6676
            54  C1a C     8.0527  -18.6676
            55  O5a O    11.1783  -18.4802
BOND        57
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   50  51 1
            54   51  52 1
            55   51  53 1
            56   51  54 1
            57   49  55 2

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