KEGG   COMPOUND: C00877Help
Entry
C00877                      Compound                               

Name
Crotonoyl-CoA;
Crotonyl-CoA;
2-Butenoyl-CoA;
trans-But-2-enoyl-CoA;
But-2-enoyl-CoA;
(E)-But-2-enoyl-CoA
Formula
C25H40N7O17P3S
Exact mass
835.1414
Mol weight
835.6081
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid degradation
Lysine degradation
Benzoate degradation
Tryptophan metabolism
Aminobenzoate degradation
Glyoxylate and dicarboxylate metabolism
Butanoate metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Fatty acid metabolism
Module
M00032  
Lysine degradation, lysine => saccharopine => acetoacetyl-CoA
M00373  
Ethylmalonyl pathway
M00374  
Dicarboxylate-hydroxybutyrate cycle
M00375  
Hydroxypropionate-hydroxybutylate cycle
Enzyme
1.3.1.44        1.3.1.85        1.3.1.86        1.3.3.6         
1.3.8.1         1.3.8.6         1.3.8.7         1.3.99.-        
4.1.1.70        4.2.1.17        4.2.1.55        4.3.1.14        
5.3.3.3         5.5.1.-
Other DBs
CAS: 
992-67-6
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   C2b C    29.6324  -29.8200
            2   C5a C    30.8449  -29.1200
            3   S2a S    32.0573  -29.8200
            4   C1b C    33.2697  -29.1200
            5   C1b C    34.4822  -29.8200
            6   N1b N    35.6946  -29.1200
            7   C5a C    36.9070  -29.8200
            8   C1b C    38.1195  -29.1200
            9   C1b C    39.3319  -29.8200
            10  N1b N    40.5444  -29.1200
            11  C5a C    41.7568  -29.8200
            12  C1c C    42.9692  -29.1200
            13  C1d C    44.1817  -29.8200
            14  C1b C    45.3941  -29.1200
            15  O2b O    46.6065  -29.8200
            16  O5a O    30.8449  -27.7202
            17  O5a O    36.9070  -31.2199
            18  O5a O    41.7568  -31.2196
            19  O1a O    42.9692  -27.7200
            20  C1a C    44.1817  -28.4200
            21  C1a C    44.1817  -31.2200
            22  P1b P    48.0065  -29.8200
            23  O1c O    49.4065  -29.8200
            24  O1c O    48.0065  -31.2200
            25  C1y C    41.5100  -24.8500
            26  C1y C    42.9100  -24.8500
            27  C1y C    43.3426  -23.5185
            28  O2x O    42.2100  -22.6956
            29  C1y C    41.0774  -23.5185
            30  C1b C    44.6622  -23.0897
            31  O1a O    40.6871  -25.9826
            32  O2b O    43.7329  -25.9826
            33  P1b P    45.1329  -25.9826
            34  O1c O    45.1329  -24.5826
            35  O1c O    46.5329  -25.9826
            36  O1c O    45.1329  -27.3826
            37  C8y C    36.9600  -21.7000
            38  C8y C    36.9600  -23.1000
            39  N4y N    39.3849  -23.1000
            40  C8x C    39.3849  -21.7000
            41  N5x N    38.1724  -21.0000
            42  C8y C    35.7476  -21.0000
            43  N5x N    34.5351  -21.7000
            44  C8x C    34.5351  -23.1000
            45  N5x N    35.7476  -23.8000
            46  N1a N    35.7476  -19.6002
            47  O2b O    46.6445  -23.5220
            48  P1b P    48.0445  -23.5220
            49  O1c O    48.0445  -22.1220
            50  O1c O    49.4445  -23.5220
            51  O2c O    48.0445  -26.7420
            52  C2b C    28.4033  -29.1102
            53  C1a C    27.1992  -29.8053
BOND        55
            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 2
            55   52  53 1

» Japanese version

DBGET integrated database retrieval system