KEGG   COMPOUND: C02801
Entry
C02801                      Compound                               
Name
4-Aminobutanoyl-CoA
Formula
C25H43N8O17P3S
Exact mass
852.168
Mol weight
852.6386
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02801  4-Aminobutanoyl-CoA
Other DBs
PubChem: 5751
ChEBI: 15496
LIPIDMAPS: LMFA07050262
NIKKAJI: J2.739.596A
KCF data

ATOM        54
            1   C1b C    30.8224  -38.2200
            2   C5a C    32.0349  -37.5200
            3   S2a S    33.2473  -38.2200
            4   C1b C    34.4597  -37.5200
            5   C1b C    35.6722  -38.2200
            6   N1b N    36.8846  -37.5200
            7   C5a C    38.0970  -38.2200
            8   C1b C    39.3095  -37.5200
            9   C1b C    40.5219  -38.2200
            10  N1b N    41.7344  -37.5200
            11  C5a C    42.9468  -38.2200
            12  C1c C    44.1592  -37.5200
            13  C1d C    45.3717  -38.2200
            14  C1b C    46.5841  -37.5200
            15  O2b O    47.7965  -38.2200
            16  O5a O    32.0349  -36.1202
            17  O5a O    38.0970  -39.6199
            18  O5a O    42.9468  -39.6196
            19  O1a O    44.1592  -36.1200
            20  C1a C    45.3717  -36.8200
            21  C1a C    45.3717  -39.6200
            22  P1b P    49.1965  -38.2200
            23  O1c O    50.5965  -38.2200
            24  O1c O    49.1965  -39.6200
            25  C1y C    42.7000  -33.2500
            26  C1y C    44.1000  -33.2500
            27  C1y C    44.5326  -31.9185
            28  O2x O    43.4000  -31.0956
            29  C1y C    42.2674  -31.9185
            30  C1b C    45.8522  -31.4897
            31  O1a O    41.8771  -34.3826
            32  O2b O    44.9229  -34.3826
            33  P1b P    46.3229  -34.3826
            34  O1c O    46.3229  -32.9826
            35  O1c O    47.7229  -34.3826
            36  O1c O    46.3229  -35.7826
            37  C8y C    38.1500  -30.1000
            38  C8y C    38.1500  -31.5000
            39  N4y N    40.5749  -31.5000
            40  C8x C    40.5749  -30.1000
            41  N5x N    39.3624  -29.4000
            42  C8y C    36.9376  -29.4000
            43  N5x N    35.7251  -30.1000
            44  C8x C    35.7251  -31.5000
            45  N5x N    36.9376  -32.2000
            46  N1a N    36.9376  -28.0002
            47  O2b O    47.8345  -31.9220
            48  P1b P    49.2345  -31.9220
            49  O1c O    49.2345  -30.5220
            50  O1c O    50.6345  -31.9220
            51  O2c O    49.2345  -35.1420
            52  C1b C    29.5933  -37.5102
            53  C1b C    28.3892  -38.2053
            54  N1a N    27.2063  -37.5222
BOND        56
            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

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