KEGG   COMPOUND: C08537
Entry
C08537                      Compound                               
Name
Amaranthin
Formula
C30H34N2O19
Exact mass
726.1756
Mol weight
726.593
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00961  Betacyanin biosynthesis, L-tyrosine => amaranthin
Enzyme
2.3.1.-         2.4.1.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betacyanins
    C08537  Amaranthin
Other DBs
CAS: 15167-84-7
PubChem: 10730
ChEBI: 2621
KNApSAcK: C00001581
3DMET: B02207
NIKKAJI: J139.428B
LinkDB
KCF data

ATOM        51
            1   C8y C    29.6538  -17.5636
            2   N2y N    30.9763  -18.0007 #+
            3   C8y C    29.6654  -16.1713
            4   C8x C    28.4363  -18.2454
            5   C1y C    31.8094  -16.8764
            6   C2b C    30.9763  -19.4047
            7   C1x C    30.9937  -15.7402
            8   C8x C    28.4654  -15.4606
            9   C8y C    27.2420  -17.5405
            10  C6a C    33.2076  -16.8704
            11  C2b C    32.1880  -20.1096
            12  C8y C    27.2536  -16.1480
            13  O1a O    26.0244  -18.2220
            14  O6a O    33.9067  -15.6587
            15  O6a O    33.9067  -18.0881 #-
            16  C2y C    32.1880  -21.5137
            17  O2a O    26.0534  -15.4315
            18  C1x C    30.9705  -22.2069
            19  C2x C    33.3999  -22.2069
            20  C1y C    26.0593  -14.0333
            21  C1y C    30.9705  -23.6110
            22  C2y C    33.3999  -23.6110
            23  C1y C    24.8417  -13.3342
            24  O2x O    27.2653  -13.3342
            25  N1x N    32.1880  -24.3159
            26  C6a C    29.7587  -24.3159
            27  C6a C    34.6116  -24.3159
            28  O2a O    23.6241  -14.0390
            29  C1y C    24.8417  -11.9418
            30  C1y C    27.2653  -11.9359
            31  O6a O    28.5410  -23.6110
            32  O6a O    29.7587  -25.7141
            33  O6a O    34.6116  -25.7141
            34  O6a O    35.8292  -23.6110
            35  C1y C    22.4122  -14.7381
            36  C1y C    26.0534  -11.2311
            37  O1a O    23.6241  -11.2368
            38  C1b C    28.4770  -11.2311
            39  O2x O    21.2005  -14.0390
            40  C1y C    22.4122  -16.1423
            41  O1a O    26.0534   -9.8328
            42  O1a O    28.4711   -9.8269
            43  C1y C    19.9829  -14.7381
            44  C1y C    21.2005  -16.8355
            45  O1a O    23.6241  -16.8355
            46  C1y C    19.9829  -16.1423
            47  C6a C    18.7712  -14.0333
            48  O1a O    21.2005  -18.2394
            49  O1a O    18.7712  -16.8414
            50  O6a O    17.5536  -14.7381
            51  O6a O    18.7712  -12.6350
BOND        55
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12    9  13 1
            13   10  14 2
            14   10  15 1
            15   11  16 2
            16   12  17 1
            17   16  18 1
            18   16  19 1
            19   20  17 1 #Up
            20   18  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   23  28 1 #Down
            28   23  29 1
            29   24  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   27  34 2
            34   35  28 1 #Up
            35   29  36 1
            36   29  37 1 #Up
            37   30  38 1 #Up
            38   35  39 1
            39   35  40 1
            40   36  41 1 #Down
            41   38  42 1
            42   39  43 1
            43   40  44 1
            44   40  45 1 #Down
            45   43  46 1
            46   43  47 1 #Up
            47   44  48 1 #Up
            48   46  49 1 #Down
            49   47  50 1
            50   47  51 2
            51    5   7 1
            52    9  12 1
            53   22  25 1
            54   30  36 1
            55   44  46 1

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