KEGG   COMPOUND: C20971
Entry
C20971                      Compound                               

Name
Alamandine
Formula
C40H62N12O9
Exact mass
854.4763
Mol weight
854.9953
Structure
Sequence
Ala Arg Val Tyr Ile His Pro
  Organism
Homo sapiens [HSA:183]
  Type
Peptide
Pathway
map04614  Renin-angiotensin system
Brite
Bioactive peptides [BR:br08005]
 Cardiovascular peptides
  Angiotensin
   C20971  Alamandine
Other DBs
PubChem: 254741430
LinkDB
KCF data

ATOM        61
            1   C1y C    25.8201  -15.4584
            2   N1y N    24.4780  -15.4584
            3   C1x C    24.0635  -16.7348
            4   C1x C    25.1491  -17.5236
            5   C1x C    26.2350  -16.7348
            6   C6a C    26.9824  -14.7874
            7   O6a O    28.1446  -15.4584
            8   O6a O    26.9824  -13.4455
            9   C5a C    23.3159  -14.7874
            10  C1c C    22.1537  -15.4584
            11  N1b N    20.9916  -14.7874
            12  C5a C    19.8293  -15.4584
            13  C1c C    18.6671  -14.7874
            14  N1b N    17.5050  -15.4584
            15  C5a C    16.3427  -14.7874
            16  O5a O    23.3159  -13.4455
            17  C1b C    22.1537  -18.8578
            18  C8y C    23.3195  -19.5308
            19  C8x C    23.4600  -20.8678
            20  N5x N    24.7749  -21.1474
            21  C8x C    25.4472  -19.9832
            22  N4x N    24.5476  -18.9841
            23  O5a O    19.8293  -16.8039
            24  C1c C    18.6671  -12.7654
            25  C1b C    19.8309  -12.0934
            26  C1a C    17.5058  -12.0949
            27  C1a C    19.8309  -10.7517
            28  C1c C    15.1482  -15.4773
            29  O5a O    16.3426  -13.4311
            30  N1b N    13.9643  -14.7940
            31  C5a C    12.7867  -15.4718
            32  C1c C    11.6085  -14.7915
            33  N1b N    10.4303  -15.4718
            34  C5a C     9.2521  -14.7915
            35  C1c C     8.0737  -15.4718
            36  N1b N     6.8955  -14.7915
            37  C5a C     5.7172  -15.4718
            38  O5a O    12.7858  -16.8322
            39  C1c C    11.6085  -12.8849
            40  C1a C    10.4290  -12.2038
            41  C1a C    12.7854  -12.2054
            42  O5a O     9.2521  -13.4310
            43  C1c C     4.5368  -14.7903
            44  O5a O     5.7172  -16.8354
            45  C1a C     3.3544  -15.4731
            46  N1a N     4.5368  -13.4332
            47  C1b C     8.0738  -16.8354
            48  C1b C     9.2512  -17.5151
            49  C1b C     9.2510  -18.8779
            50  N1b N    10.4287  -19.5597
            51  C2c C    10.4271  -20.9207
            52  N1a N    11.6049  -21.6025
            53  N2a N     9.2520  -21.5972
            54  C1b C    15.1483  -17.1777
            55  C8y C    16.3284  -17.8588
            56  C8x C    16.3285  -19.2191
            57  C8x C    17.5071  -19.8995
            58  C8y C    18.6858  -19.2189
            59  C8x C    18.6856  -17.8586
            60  C8x C    17.5068  -17.1783
            61  O1a O    19.8817  -19.9095
BOND        63
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     6   7 1
            8     6   8 2
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1 #Up
            15   14  15 1
            16    9  16 2
            17   10  17 1 #Down
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   18  22 1
            24   12  23 2
            25   13  24 1
            26   24  25 1
            27   24  26 1 #Up
            28   25  27 1
            29   15  28 1
            30   15  29 2
            31   28  30 1 #Down
            32   30  31 1
            33   31  32 1
            34   32  33 1 #Up
            35   33  34 1
            36   35  34 1 #Down
            37   35  36 1
            38   36  37 1
            39   31  38 2
            40   32  39 1
            41   39  40 1
            42   39  41 1
            43   34  42 2
            44   37  43 1
            45   37  44 2
            46   43  45 1
            47   43  46 1 #Down
            48   35  47 1
            49   47  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 1
            53   51  52 1
            54   51  53 2
            55   28  54 1
            56   54  55 1
            57   55  56 2
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  60 2
            62   55  60 1
            63   58  61 1

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