KEGG   COMPOUND: C00904
Entry
C00904                      Compound                               
Name
Citramalyl-CoA
Formula
C26H42N7O20P3S
Exact mass
897.1418
Mol weight
897.6329
Structure
Comment
(3S)-Citramalyl-CoA [CPD:C01011]
(3R)-Citramalyl-CoA [CPD:C20746]
Reaction
Enzyme
Other DBs
PubChem: 4159
ChEBI: 15457
PDB-CCD: CQM[PDBj]
NIKKAJI: J2.730.993C
LinkDB
KCF data

ATOM        57
            1   C1b C    30.5424  -27.7200
            2   C5a C    31.7549  -27.0200
            3   S2a S    32.9673  -27.7200
            4   C1b C    34.1797  -27.0200
            5   C1b C    35.3922  -27.7200
            6   N1b N    36.6046  -27.0200
            7   C5a C    37.8170  -27.7200
            8   C1b C    39.0295  -27.0200
            9   C1b C    40.2419  -27.7200
            10  N1b N    41.4544  -27.0200
            11  C5a C    42.6668  -27.7200
            12  C1c C    43.8792  -27.0200
            13  C1d C    45.0917  -27.7200
            14  C1b C    46.3041  -27.0200
            15  O2b O    47.5165  -27.7200
            16  O5a O    31.7549  -25.6202
            17  O5a O    37.8170  -29.1199
            18  O5a O    42.6668  -29.1196
            19  O1a O    43.8792  -25.6200
            20  C1a C    45.0917  -26.3200
            21  C1a C    45.0917  -29.1200
            22  P1b P    48.9165  -27.7200
            23  O1c O    50.3165  -27.7200
            24  O1c O    48.9165  -29.1200
            25  C1y C    42.4200  -22.7500
            26  C1y C    43.8200  -22.7500
            27  C1y C    44.2526  -21.4185
            28  O2x O    43.1200  -20.5956
            29  C1y C    41.9874  -21.4185
            30  C1b C    45.5722  -20.9897
            31  O1a O    41.5971  -23.8826
            32  O2b O    44.6429  -23.8826
            33  P1b P    46.0429  -23.8826
            34  O1c O    46.0429  -22.4826
            35  O1c O    47.4429  -23.8826
            36  O1c O    46.0429  -25.2826
            37  C8y C    37.8700  -19.6000
            38  C8y C    37.8700  -21.0000
            39  N4y N    40.2949  -21.0000
            40  C8x C    40.2949  -19.6000
            41  N5x N    39.0824  -18.9000
            42  C8y C    36.6576  -18.9000
            43  N5x N    35.4451  -19.6000
            44  C8x C    35.4451  -21.0000
            45  N5x N    36.6576  -21.7000
            46  N1a N    36.6576  -17.5002
            47  O2b O    47.5545  -21.4220
            48  P1b P    48.9545  -21.4220
            49  O1c O    48.9545  -20.0220
            50  O1c O    50.3545  -21.4220
            51  O2c O    48.9545  -24.6420
            52  C1d C    29.3133  -27.0102
            53  C6a C    28.1092  -27.7053
            54  O6a O    26.9263  -27.0222
            55  O6a O    28.1088  -29.1197
            56  C1a C    28.3233  -26.0202
            57  O1a O    30.3032  -26.0202
BOND        59
            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   53  55 2
            58   52  56 1
            59   52  57 1

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