KEGG   COMPOUND: C14077Help
Entry
C14077                      Compound                               

Name
Phthalocyanine;
29H,31H-Phthalocyanine;
Pigment blue 16
Formula
C32H18N8
Exact mass
514.1654
Mol weight
514.5389
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 574-93-6
PubChem: 854314
ChEBI: 34921
ChEMBL: CHEMBL262101
NIKKAJI: J34.511C
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8x C    19.5996  -18.3175
            2   C8x C    19.5996  -16.9175
            3   C8x C    20.7662  -16.2176
            4   C8x C    21.9795  -16.9175
            5   C8y C    21.9795  -18.3175
            6   C8y C    20.7662  -19.0175
            7   C8y C    23.0062  -19.2508
            8   N4x N    22.4461  -20.3708
            9   C8y C    21.0462  -20.3708
            10  N5x N    24.2195  -18.5508
            11  C8y C    26.5994  -18.3641
            12  C8x C    26.5994  -16.9642
            13  C8x C    27.8126  -16.2643
            14  C8x C    29.0259  -16.9642
            15  C8x C    29.0259  -18.3641
            16  C8y C    27.8126  -19.0642
            17  C8y C    27.5326  -20.4174
            18  N5x N    26.1327  -20.4174
            19  C8y C    25.5728  -19.2975
            20  N5x N    20.1092  -21.4110
            21  N5x N    28.4696  -21.4576
            22  C8x C    19.5068  -24.5702
            23  C8x C    19.5068  -25.9702
            24  C8x C    20.6735  -26.6702
            25  C8x C    21.8868  -25.9702
            26  C8y C    21.8868  -24.5702
            27  C8y C    20.6735  -23.8702
            28  C8y C    22.9136  -23.6368
            29  N5x N    22.3535  -22.5168
            30  C8y C    20.9535  -22.5168
            31  N5x N    24.1269  -24.3368
            32  C8y C    26.5069  -24.5236
            33  C8x C    26.5069  -25.9235
            34  C8x C    27.7202  -26.6235
            35  C8x C    28.9336  -25.9235
            36  C8x C    28.9336  -24.5236
            37  C8y C    27.7202  -23.8235
            38  C8y C    27.4402  -22.4702
            39  N4x N    26.0402  -22.4702
            40  C8y C    25.4802  -23.5901
BOND        48
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    6   9 1
            11    7  10 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   11  19 1
            22   10  19 1
            23    9  20 2
            24   17  21 2
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   26  28 1
            32   28  29 1
            33   29  30 2
            34   27  30 1
            35   28  31 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   36  37 1
            41   32  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 1
            45   32  40 2
            46   31  40 1
            47   20  30 1
            48   21  38 1

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