KEGG   COMPOUND: C18064Help
Entry
C18064                      Compound                               

Name
Pyropheophorbide a
Formula
C33H34N4O3
Exact mass
534.2631
Mol weight
534.6481
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Others
   Others
    C18064  Pyropheophorbide a
BRITE hierarchy
Other DBs
PubChem: 96024283
ChEBI: 48398
ChEMBL: CHEMBL520220
NIKKAJI: J55.605J
KCF data Show

ATOM        40
            1   C8y C    27.0957  -25.5925
            2   C8y C    25.8319  -26.1397
            3   N4x N    27.1924  -24.2067
            4   C8y C    28.4506  -26.1094
            5   C8y C    24.5312  -25.6175
            6   C8y C    28.5350  -23.8920
            7   C8y C    29.2706  -25.0582
            8   C1y C    23.3044  -26.2367
            9   N5x N    24.3117  -24.2439
            10  C8x C    29.0335  -22.6519
            11  N4x N    24.2152  -21.2726
            12  C1y C    22.3193  -25.3186
            13  C8y C    22.9645  -24.0185
            14  C8y C    28.5231  -21.4061
            15  C8y C    24.3916  -19.8990
            16  C8y C    22.8415  -21.5157
            17  C8x C    22.4042  -22.7977
            18  C8y C    29.1491  -20.1539
            19  N5x N    27.1555  -21.1998
            20  C8y C    23.1397  -19.3169
            21  C8x C    25.6436  -19.2252
            22  C8y C    22.1857  -20.3067
            23  C8y C    28.1655  -19.2004
            24  C8y C    26.9313  -19.8454
            25  C2b C    23.1978  -17.9125
            26  C1a C    20.7945  -20.3067
            27  C1a C    28.1463  -17.8028
            28  C2a C    24.3316  -17.2035
            29  C1b C    30.5215  -19.9235
            30  C1a C    31.4566  -21.0593
            31  C5x C    27.9736  -27.5066
            32  C1b C    23.2482  -27.6114
            33  C1b C    22.0310  -28.2428
            34  C6a C    22.0376  -29.6176
            35  O6a O    20.7503  -30.2563
            36  O6a O    23.1287  -30.3536
            37  C1a C    20.8522  -25.3862
            38  C1a C    30.6087  -25.0527
            39  C1x C    26.4359  -27.5513
            40  O5x O    28.8144  -28.7090
BOND        45
            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   11  15 1
            44   11  16 1
            45   13  17 2

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