KEGG   COMPOUND: C01011Help
Entry
C01011                      Compound                               

Name
(3S)-Citramalyl-CoA;
L-Citramalyl-CoA
Formula
C26H42N7O20P3S
Exact mass
897.1418
Mol weight
897.6329
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
C5-Branched dibasic acid metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
2.8.3.7         2.8.3.11        4.1.3.24        4.1.3.25        
4.2.1.56
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C1b C    30.4024  -27.2300
            2   C5a C    31.6149  -26.5300
            3   S2a S    32.8273  -27.2300
            4   C1b C    34.0397  -26.5300
            5   C1b C    35.2522  -27.2300
            6   N1b N    36.4646  -26.5300
            7   C5a C    37.6770  -27.2300
            8   C1b C    38.8895  -26.5300
            9   C1b C    40.1019  -27.2300
            10  N1b N    41.3144  -26.5300
            11  C5a C    42.5268  -27.2300
            12  C1c C    43.7392  -26.5300
            13  C1d C    44.9517  -27.2300
            14  C1b C    46.1641  -26.5300
            15  O2b O    47.3765  -27.2300
            16  O5a O    31.6149  -25.1302
            17  O5a O    37.6770  -28.6299
            18  O5a O    42.5268  -28.6296
            19  O1a O    43.7392  -25.1300
            20  C1a C    44.9517  -25.8300
            21  C1a C    44.9517  -28.6300
            22  P1b P    48.7765  -27.2300
            23  O1c O    50.1765  -27.2300
            24  O1c O    48.7765  -28.6300
            25  C1y C    42.2800  -22.2600
            26  C1y C    43.6800  -22.2600
            27  C1y C    44.1126  -20.9285
            28  O2x O    42.9800  -20.1056
            29  C1y C    41.8474  -20.9285
            30  C1b C    45.4322  -20.4997
            31  O1a O    41.4571  -23.3926
            32  O2b O    44.5029  -23.3926
            33  P1b P    45.9029  -23.3926
            34  O1c O    45.9029  -21.9926
            35  O1c O    47.3029  -23.3926
            36  O1c O    45.9029  -24.7926
            37  C8y C    37.7300  -19.1100
            38  C8y C    37.7300  -20.5100
            39  N4y N    40.1549  -20.5100
            40  C8x C    40.1549  -19.1100
            41  N5x N    38.9424  -18.4100
            42  C8y C    36.5176  -18.4100
            43  N5x N    35.3051  -19.1100
            44  C8x C    35.3051  -20.5100
            45  N5x N    36.5176  -21.2100
            46  N1a N    36.5176  -17.0102
            47  O2b O    47.4145  -20.9320
            48  P1b P    48.8145  -20.9320
            49  O1c O    48.8145  -19.5320
            50  O1c O    50.2145  -20.9320
            51  O2c O    48.8145  -24.1520
            52  C1d C    29.1733  -26.5202
            53  C6a C    27.9692  -27.2153
            54  O6a O    26.7863  -26.5322
            55  O6a O    27.9688  -28.6297
            56  O1a O    29.1733  -27.9202
            57  C1a C    29.1733  -25.1202
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   52   1 1 #Down
            55   52  53 1
            56   53  54 1
            57   53  55 2
            58   52  56 1
            59   52  57 1 #Up

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