KEGG   COMPOUND: C03685
Entry
C03685                      Compound                               
Name
7-Methyl-3-oxooctanoyl-CoA
Formula
C30H50N7O18P3S
Exact mass
921.2146
Mol weight
921.7404
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C03685  7-Methyl-3-oxooctanoyl-CoA
Other DBs
PubChem: 6460
ChEBI: 15506
LIPIDMAPS: LMFA07050277
NIKKAJI: J2.744.797J
LinkDB
KCF data

ATOM        59
            1   C1b C    23.1224  -24.2200
            2   C5a C    24.3349  -23.5200
            3   S2a S    25.5473  -24.2200
            4   C1b C    26.7597  -23.5200
            5   C1b C    27.9722  -24.2200
            6   N1b N    29.1846  -23.5200
            7   C5a C    30.3970  -24.2200
            8   C1b C    31.6095  -23.5200
            9   C1b C    32.8219  -24.2200
            10  N1b N    34.0344  -23.5200
            11  C5a C    35.2468  -24.2200
            12  C1c C    36.4592  -23.5200
            13  C1d C    37.6717  -24.2200
            14  C1b C    38.8841  -23.5200
            15  O2b O    40.0965  -24.2200
            16  O5a O    24.3349  -22.1202
            17  O5a O    30.3970  -25.6199
            18  O5a O    35.2468  -25.6196
            19  O1a O    36.4592  -22.1200
            20  C1a C    37.6717  -22.8200
            21  C1a C    37.6717  -25.6200
            22  P1b P    41.4965  -24.2200
            23  O1c O    42.8965  -24.2200
            24  O1c O    41.4965  -25.6200
            25  C1y C    35.0000  -19.2500
            26  C1y C    36.4000  -19.2500
            27  C1y C    36.8326  -17.9185
            28  O2x O    35.7000  -17.0956
            29  C1y C    34.5674  -17.9185
            30  C1b C    38.1522  -17.4897
            31  O1a O    34.1771  -20.3826
            32  O2b O    37.2229  -20.3826
            33  P1b P    38.6229  -20.3826
            34  O1c O    38.6229  -18.9826
            35  O1c O    40.0229  -20.3826
            36  O1c O    38.6229  -21.7826
            37  C8y C    30.4500  -16.1000
            38  C8y C    30.4500  -17.5000
            39  N4y N    32.8749  -17.5000
            40  C8x C    32.8749  -16.1000
            41  N5x N    31.6624  -15.4000
            42  C8y C    29.2376  -15.4000
            43  N5x N    28.0251  -16.1000
            44  C8x C    28.0251  -17.5000
            45  N5x N    29.2376  -18.2000
            46  N1a N    29.2376  -14.0002
            47  O2b O    40.1345  -17.9220
            48  P1b P    41.5345  -17.9220
            49  O1c O    41.5345  -16.5220
            50  O1c O    42.9345  -17.9220
            51  O2c O    41.5345  -21.1420
            52  C5a C    21.8876  -23.5200
            53  C1b C    20.6751  -24.2200
            54  C1b C    19.4627  -23.5200
            55  C1b C    18.2503  -24.2200
            56  C1c C    17.0378  -23.5200
            57  C1a C    15.8254  -24.2200
            58  O5a O    21.8820  -22.1203
            59  C1a C    17.0378  -22.1203
BOND        61
            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   52  58 2
            61   56  59 1

» Japanese version

DBGET integrated database retrieval system