KEGG   COMPOUND: C18021
Entry
C18021                      Compound                               

Name
Pheophorbide a
Formula
C35H36N4O5
Exact mass
592.2686
Mol weight
592.6841
Structure
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.15.17      3.1.1.82        4.99.1.10
Other DBs
CAS: 15664-29-6
PubChem: 96024241
ChEBI: 38257
ChEMBL: CHEMBL510103
KNApSAcK: C00048505
NIKKAJI: J37.194G J431.514F
KCF data

ATOM        44
            1   C8y C    26.0896  -19.9682
            2   C8y C    24.8270  -20.5149
            3   N4x N    26.2562  -18.5838
            4   C8y C    27.4432  -20.4846
            5   C8y C    23.5275  -19.9932
            6   C8y C    27.5275  -18.2694
            7   C8y C    28.2624  -19.4344
            8   C1y C    22.3019  -20.6118
            9   N5x N    23.3082  -18.6209
            10  C8x C    28.0255  -17.0305
            11  N4x N    23.1418  -15.6525
            12  C1y C    21.3178  -19.6946
            13  C8y C    21.9623  -18.3957
            14  C8y C    27.5156  -15.7859
            15  C8y C    23.3881  -14.2802
            16  C8y C    21.8395  -15.8954
            17  C8x C    21.4026  -17.1761
            18  C8y C    28.1410  -14.5349
            19  N5x N    26.1493  -15.5798
            20  C8y C    22.1374  -13.6987
            21  C8x C    24.6389  -13.6071
            22  C8y C    21.1843  -14.6875
            23  C8y C    27.1583  -13.5823
            24  C8y C    25.9253  -14.2267
            25  C2b C    22.1255  -12.2956
            26  C1a C    19.7944  -14.6875
            27  C1a C    27.1392  -12.1860
            28  C2a C    23.3281  -11.5873
            29  C1b C    29.5121  -14.3047
            30  C1a C    30.4463  -15.4394
            31  C5x C    26.9666  -21.8105
            32  C1b C    22.2458  -21.9852
            33  C1b C    21.0297  -22.6160
            34  C6a C    20.9664  -23.9894
            35  O6a O    19.7503  -24.6275
            36  O6a O    22.1264  -24.7247
            37  C1a C    19.8521  -19.7621
            38  C1a C    29.5992  -19.4289
            39  C1y C    25.4304  -21.8551
            40  O5x O    27.8066  -23.0817
            41  C7a C    24.6277  -23.0815
            42  O6a O    23.1630  -23.0700
            43  O7a O    25.2896  -24.3964
            44  C1a C    24.3395  -25.7625
BOND        49
            1    14  18 1
            2    14  19 2
            3    15  20 2
            4    15  21 1
            5    16  22 2
            6    18  23 2
            7    19  24 1
            8    20  25 1
            9    22  26 1
            10   23  27 1
            11    6   7 1
            12   12  13 1
            13   16  17 1
            14   20  22 1
            15   21  24 2
            16   23  24 1
            17   25  28 2
            18   18  29 1
            19   29  30 1
            20    1   2 2
            21    4  31 1
            22    1   3 1
            23    8  32 1 #Up
            24    1   4 1
            25   32  33 1
            26    2   5 1
            27   33  34 1
            28    3   6 1
            29   34  35 1
            30    4   7 2
            31   34  36 2
            32    5   8 1
            33   12  37 1 #Down
            34    5   9 2
            35    7  38 1
            36    6  10 2
            37    8  12 1
            38    2  39 1
            39   39  31 1
            40    9  13 1
            41   31  40 2
            42   10  14 1
            43   39  41 1 #Down
            44   11  15 1
            45   41  42 2
            46   11  16 1
            47   41  43 1
            48   13  17 2
            49   43  44 1

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