KEGG   COMPOUND: C00356Help
Entry
C00356                      Compound                               

Name
(S)-3-Hydroxy-3-methylglutaryl-CoA;
Hydroxymethylglutaryl-CoA;
Hydroxymethylglutaroyl coenzyme A;
HMG-CoA;
3-Hydroxy-3-methylglutaryl-CoA
Formula
C27H44N7O20P3S
Exact mass
911.1575
Mol weight
911.6594
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Synthesis and degradation of ketone bodies
Valine, leucine and isoleucine degradation
Butanoate metabolism
Terpenoid backbone biosynthesis
Biosynthesis of plant secondary metabolites
Biosynthesis of terpenoids and steroids
Biosynthesis of alkaloids derived from terpenoid and polyketide
Biosynthesis of plant hormones
Metabolic pathways
Biosynthesis of secondary metabolites
HMG-CoA reductase inhibitors
Enzyme
1.1.1.34        1.1.1.88        2.3.3.10        2.8.3.13        
3.1.2.5         4.1.3.4         4.2.1.18
Other DBs
CAS: 
1553-55-5
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
KCF data Show

ATOM        58
            1   C1b C    30.7524  -36.4000
            2   C5a C    31.9649  -35.7000
            3   S2a S    33.1773  -36.4000
            4   C1b C    34.3897  -35.7000
            5   C1b C    35.6022  -36.4000
            6   N1b N    36.8146  -35.7000
            7   C5a C    38.0270  -36.4000
            8   C1b C    39.2395  -35.7000
            9   C1b C    40.4519  -36.4000
            10  N1b N    41.6644  -35.7000
            11  C5a C    42.8768  -36.4000
            12  C1c C    44.0892  -35.7000
            13  C1d C    45.3017  -36.4000
            14  C1b C    46.5141  -35.7000
            15  O2b O    47.7265  -36.4000
            16  O5a O    31.9649  -34.3002
            17  O5a O    38.0270  -37.7999
            18  O5a O    42.8768  -37.7996
            19  O1a O    44.0892  -34.3000
            20  C1a C    45.3017  -35.0000
            21  C1a C    45.3017  -37.8000
            22  P1b P    49.1265  -36.4000
            23  O1c O    50.5265  -36.4000
            24  O1c O    49.1265  -37.8000
            25  C1y C    42.6300  -31.4300
            26  C1y C    44.0300  -31.4300
            27  C1y C    44.4626  -30.0985
            28  O2x O    43.3300  -29.2756
            29  C1y C    42.1974  -30.0985
            30  C1b C    45.7822  -29.6697
            31  O1a O    41.8071  -32.5626
            32  O2b O    44.8529  -32.5626
            33  P1b P    46.2529  -32.5626
            34  O1c O    46.2529  -31.1626
            35  O1c O    47.6529  -32.5626
            36  O1c O    46.2529  -33.9626
            37  C8y C    38.0800  -28.2800
            38  C8y C    38.0800  -29.6800
            39  N4y N    40.5049  -29.6800
            40  C8x C    40.5049  -28.2800
            41  N5x N    39.2924  -27.5800
            42  C8y C    36.8676  -27.5800
            43  N5x N    35.6551  -28.2800
            44  C8x C    35.6551  -29.6800
            45  N5x N    36.8676  -30.3800
            46  N1a N    36.8676  -26.1802
            47  O2b O    47.7645  -30.1020
            48  P1b P    49.1645  -30.1020
            49  O1c O    49.1645  -28.7020
            50  O1c O    50.5645  -30.1020
            51  O2c O    49.1645  -33.3220
            52  C1d C    29.5233  -35.6902
            53  C1b C    28.3192  -36.3853
            54  C6a C    27.1363  -35.7022
            55  O6a O    25.9426  -36.3914
            56  O6a O    27.1363  -34.3002
            57  C1a C    28.5333  -34.7002
            58  O1a O    30.5132  -34.7002
BOND        60
            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   54  56 2
            59   52  57 1 #Up
            60   52  58 1 #Down

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