KEGG   COMPOUND: C18010
Entry
C18010                      Compound                               

Name
Deltorphin A;
Dermenkephalin
Formula
C44H62N10O10S2
Exact mass
954.4092
Mol weight
955.1541
Structure
Sequence
Tyr D-Met Phe His Leu Met Asp-NH2
  Type
Peptide
Pathway
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    delta-opioid receptor
     C18010  Deltorphin A
Other DBs
CAS: 119975-64-3
PubChem: 96024230
ChEBI: 81455
ChEMBL: CHEMBL20775
LinkDB
KCF data

ATOM        66
            1   C5a C    37.4500  -22.4700
            2   C1c C    36.2600  -23.1700
            3   N1a N    38.6400  -23.1700
            4   O5a O    37.4500  -21.0700
            5   N1b N    35.0700  -22.4700
            6   C5a C    33.8800  -23.1700
            7   C1c C    32.6900  -22.4700
            8   O5a O    33.8800  -24.5700
            9   N1b N    31.5000  -23.1700
            10  C1b C    32.6900  -21.0700
            11  C1b C    31.5000  -20.3700
            12  C1b C    36.2600  -24.5700
            13  C6a C    37.4500  -25.2700
            14  O6a O    38.6400  -24.5700
            15  O6a O    37.4500  -26.6700
            16  C5a C    30.2400  -22.4700
            17  C1c C    29.0500  -23.1700
            18  S2a S    31.5000  -18.9700
            19  C1a C    30.2400  -18.2700
            20  O5a O    30.2400  -21.0700
            21  N1b N    27.8600  -22.4700
            22  C1b C    29.0500  -24.5700
            23  C5a C    26.6700  -23.1700
            24  C1c C    25.4800  -22.4700
            25  C1c C    30.2400  -25.2700
            26  C1a C    31.5000  -24.5700
            27  C1a C    30.2400  -26.6700
            28  O5a O    26.6700  -24.5700
            29  N1b N    24.2900  -23.1700
            30  C5a C    23.1000  -22.4700
            31  C1c C    21.9100  -23.1700
            32  O5a O    23.1000  -21.0700
            33  N1b N    20.7200  -22.4700
            34  C5a C    19.4600  -23.1700
            35  C1c C    18.2700  -22.4700
            36  O5a O    19.4600  -24.5700
            37  C1b C    21.9100  -24.5700
            38  C8y C    23.1000  -25.2700
            39  C8x C    24.2900  -24.5700
            40  C8x C    25.5500  -25.2700
            41  C8x C    25.5500  -26.6700
            42  C8x C    24.3600  -27.4400
            43  C8x C    23.1000  -26.6700
            44  C1b C    25.4800  -21.0700
            45  C8y C    26.6700  -20.3700
            46  N4x N    27.1600  -19.0400
            47  C8x C    28.4900  -19.0400
            48  N5x N    28.9100  -20.3700
            49  C8x C    27.7900  -21.2100
            50  N1b N    17.0800  -23.1700
            51  C1b C    18.2700  -21.0700
            52  C1b C    17.0800  -20.3700
            53  C5a C    15.8900  -22.4700
            54  C1c C    14.7000  -23.1700
            55  S2a S    17.0800  -18.9700
            56  C1a C    15.8900  -18.2700
            57  O5a O    15.8900  -21.0700
            58  C1b C    13.5100  -22.4700
            59  N1a N    14.7000  -24.5700
            60  C8y C    12.3200  -23.1700
            61  C8x C    12.3200  -24.5700
            62  C8x C    11.0600  -25.2700
            63  C8y C     9.8700  -24.5700
            64  C8x C     9.8700  -23.1700
            65  C8x C    11.0600  -22.4700
            66  O1a O     8.6100  -25.2700
BOND        68
            1     2   1 1 #Down
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1 #Up
            9     7  10 1
            10   10  11 1
            11    2  12 1
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15    9  16 1
            16   16  17 1
            17   11  18 1
            18   18  19 1
            19   16  20 2
            20   17  21 1 #Down
            21   22  17 1
            22   21  23 1
            23   24  23 1
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   23  28 2
            28   24  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 2
            32   31  33 1
            33   33  34 1
            34   34  35 1
            35   34  36 2
            36   31  37 1 #Down
            37   37  38 1
            38   38  39 2
            39   39  40 1
            40   40  41 2
            41   41  42 1
            42   42  43 2
            43   38  43 1
            44   24  44 1 #Up
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 2
            49   48  49 1
            50   45  49 2
            51   35  50 1
            52   35  51 1 #Down
            53   51  52 1
            54   50  53 1
            55   53  54 1
            56   52  55 1
            57   55  56 1
            58   53  57 2
            59   54  58 1
            60   54  59 1 #Up
            61   58  60 1
            62   60  61 2
            63   61  62 1
            64   62  63 2
            65   63  64 1
            66   64  65 2
            67   60  65 1
            68   63  66 1

» Japanese version

KEGG   COMPOUND: C18095
Entry
C18095                      Compound                               

Name
Deltorphin B;
Deltorphin II
Formula
C38H54N8O10
Exact mass
782.3963
Mol weight
782.883
Structure
Pathway
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    delta-opioid receptor
     C18095  Deltorphin B
Other DBs
CAS: 122752-16-3
PubChem: 96024312
ChEBI: 81498
ChEMBL: CHEMBL20226
NIKKAJI: J384.384J
LinkDB
KCF data

ATOM        56
            1   C8x C    12.2500  -24.5700
            2   C8y C    12.2500  -23.1700
            3   C8x C    11.0600  -22.4700
            4   C8x C     9.8000  -23.1700
            5   C8y C     9.8000  -24.5700
            6   C8x C    11.0600  -25.2700
            7   O1a O     8.6100  -25.2700
            8   C1b C    13.4400  -22.4700
            9   C1c C    14.6300  -23.1700
            10  C5a C    15.8200  -22.4700
            11  N1b N    17.0100  -23.1700
            12  O5a O    15.8200  -21.0700
            13  N1a N    14.6300  -24.5700
            14  C1c C    18.2700  -22.4700
            15  C5a C    19.4600  -23.1700
            16  C1a C    18.2700  -21.0700
            17  N1b N    20.6500  -22.4700
            18  O5a O    19.4600  -24.5700
            19  C1c C    21.8400  -23.1700
            20  C5a C    23.0300  -22.4700
            21  N1b N    24.2200  -23.1700
            22  O5a O    23.0300  -21.0700
            23  C1b C    21.8400  -24.5700
            24  C8y C    23.0300  -25.2700
            25  C8x C    23.0300  -26.6700
            26  C8x C    24.2900  -27.4400
            27  C8x C    25.4800  -26.6700
            28  C8x C    25.4800  -25.2700
            29  C8x C    24.2900  -24.5700
            30  C1c C    25.4100  -22.4700
            31  C5a C    26.6000  -23.1700
            32  N1b N    27.7900  -22.4700
            33  O5a O    26.6000  -24.5700
            34  C1c C    28.9800  -23.1700
            35  C5a C    30.2400  -22.4700
            36  C1c C    28.9800  -24.5700
            37  C1a C    27.7900  -25.2700
            38  C1a C    30.2400  -25.2700
            39  N1b N    31.4300  -23.1700
            40  O5a O    30.2400  -21.0700
            41  C1c C    32.6200  -22.4700
            42  C5a C    33.8100  -23.1700
            43  N1b N    35.0000  -22.4700
            44  O5a O    33.8100  -24.5700
            45  C1b C    36.1900  -23.1700
            46  C5a C    37.3800  -22.4700
            47  N1a N    38.5700  -23.1700
            48  O5a O    37.3800  -21.0700
            49  C1c C    32.6200  -21.0700
            50  C1a C    33.8100  -20.3700
            51  C1a C    31.4300  -20.3700
            52  C1b C    25.4100  -21.0700
            53  C1b C    24.2200  -20.3700
            54  C6a C    24.2200  -18.9700
            55  O6a O    23.0300  -18.2700
            56  O6a O    25.4100  -18.2700
BOND        57
            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     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 1 #Up
            14   11  14 1
            15   14  15 1
            16   14  16 1 #Down
            17   15  17 1
            18   15  18 2
            19   17  19 1
            20   19  20 1
            21   20  21 1
            22   20  22 2
            23   19  23 1 #Down
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   24  29 1
            31   21  30 1
            32   30  31 1
            33   31  32 1
            34   31  33 2
            35   34  32 1 #Down
            36   34  35 1
            37   34  36 1
            38   36  37 1
            39   36  38 1
            40   35  39 1
            41   35  40 2
            42   39  41 1
            43   41  42 1
            44   42  43 1
            45   42  44 2
            46   43  45 1
            47   45  46 1
            48   46  47 1
            49   46  48 2
            50   41  49 1 #Up
            51   49  50 1
            52   49  51 1
            53   30  52 1 #Up
            54   52  53 1
            55   53  54 1
            56   54  55 2
            57   54  56 1

» Japanese version

KEGG   COMPOUND: C18097
Entry
C18097                      Compound                               

Name
Deltorphin C;
Deltorphin I
Formula
C37H52N8O10
Exact mass
768.3806
Mol weight
768.8564
Structure
Pathway
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    delta-opioid receptor
     C18097  Deltorphin C
Other DBs
CAS: 122752-15-2
PubChem: 96024314
ChEBI: 81500
ChEMBL: CHEMBL317956
NIKKAJI: J370.361D
LinkDB
KCF data

ATOM        55
            1   C8x C    12.2500  -24.2900
            2   C8y C    12.2500  -22.8900
            3   C8x C    11.0600  -22.1900
            4   C8x C     9.8000  -22.8900
            5   C8y C     9.8000  -24.2900
            6   C8x C    11.0600  -24.9900
            7   O1a O     8.6100  -24.9900
            8   C1b C    13.4400  -22.1900
            9   C1c C    14.6300  -22.8900
            10  C5a C    15.8200  -22.1900
            11  N1a N    14.6300  -24.2900
            12  N1b N    17.0800  -22.8900
            13  O5a O    15.8200  -20.7200
            14  C1c C    18.2700  -22.1900
            15  C5a C    19.4600  -22.8900
            16  C1a C    18.2700  -20.7200
            17  N1b N    20.6500  -22.1900
            18  O5a O    19.4600  -24.2900
            19  C1c C    21.8400  -22.8900
            20  C5a C    23.0300  -22.1900
            21  N1b N    24.2200  -22.8900
            22  O5a O    23.0300  -20.7200
            23  C1b C    21.8400  -24.2900
            24  C8y C    23.0300  -24.9900
            25  C8x C    23.0300  -26.3900
            26  C8x C    24.2900  -27.0900
            27  C8x C    25.4800  -26.3900
            28  C8x C    25.4800  -24.9900
            29  C8x C    24.2900  -24.2900
            30  C1c C    25.4100  -22.1900
            31  C5a C    26.6000  -22.8900
            32  N1b N    27.7900  -22.1900
            33  O5a O    26.6000  -24.2900
            34  C1b C    25.4100  -20.7200
            35  C6a C    26.6000  -20.0200
            36  O6a O    27.7900  -20.7200
            37  O6a O    26.6000  -18.6200
            38  C1c C    29.0500  -22.8900
            39  C5a C    30.2400  -22.1900
            40  N1b N    31.4300  -22.8900
            41  O5a O    30.2400  -20.7200
            42  C1c C    29.0500  -24.2900
            43  C1a C    27.7900  -24.9900
            44  C1a C    30.2400  -24.9900
            45  C1c C    32.6200  -22.1900
            46  C5a C    33.8100  -22.8900
            47  C1c C    32.6200  -20.7200
            48  C1a C    33.8100  -20.0200
            49  C1a C    31.4300  -20.0200
            50  N1b N    35.0000  -22.1900
            51  O5a O    33.8100  -24.2900
            52  C1b C    36.1900  -22.8900
            53  C5a C    37.3800  -22.1900
            54  N1a N    38.5700  -22.8900
            55  O5a O    37.3800  -20.7200
BOND        56
            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     2   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1 #Up
            12   10  12 1
            13   10  13 2
            14   12  14 1
            15   14  15 1
            16   14  16 1 #Down
            17   15  17 1
            18   15  18 2
            19   17  19 1
            20   19  20 1
            21   20  21 1
            22   20  22 2
            23   19  23 1 #Down
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   24  29 1
            31   21  30 1
            32   30  31 1
            33   31  32 1
            34   31  33 2
            35   30  34 1 #Up
            36   34  35 1
            37   35  36 1
            38   35  37 2
            39   38  32 1 #Down
            40   38  39 1
            41   39  40 1
            42   39  41 2
            43   38  42 1
            44   42  43 1
            45   42  44 1
            46   40  45 1
            47   45  46 1
            48   45  47 1 #Up
            49   47  48 1
            50   47  49 1
            51   46  50 1
            52   46  51 2
            53   50  52 1
            54   52  53 1
            55   53  54 1
            56   53  55 2

» Japanese version

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