KEGG   COMPOUND: C18097Help
Entry
C18097                      Compound                               

Name
Deltorphin C;
Deltorphin I
Formula
C37H52N8O10
Exact mass
768.3806
Mol weight
768.8564
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 122752-15-2
PubChem: 96024314
ChEBI: 81500
ChEMBL: CHEMBL317956
NIKKAJI: J370.361D
KCF data Show

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

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