KEGG   DRUG: D00089Help
Entry
D00089                      Drug                                   

Name
Oxytocin (JP16/USP/INN);
Oxytocin (TN);
Pitocin (TN);
Syntocinon (TN)
Product
  Generic
  Other
Formula
C43H66N12O12S2
Exact mass
1006.4365
Mol weight
1007.1873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
Cys Tyr Ile Gln Asn Cys Pro Leu Gly (Disulfide bridge: 1-6)
  Type
Peptide
Activity
Oxytocic
Remark
Same as: 
Therapeutic category: 
ATC code: 
Comment
Posterior pituitary hormone
Target
oxytocin receptor agonist [HSA:5021] [KO:K04229]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01B POSTERIOR PITUITARY LOBE HORMONES
    H01BB Oxytocin and analogues
     H01BB02 Oxytocin
      D00089  Oxytocin (JP16/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   241  Pituitary hormone preparations
    2414  Posterior pituitary hormones
     D00089  Oxytocin (JP16/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Oxytocin
    oxytocin receptor
     Oxytocin
      D00089  Oxytocin (JP16/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00089  Oxytocin
  D00089  Oxytocin injection
BRITE hierarchy
Other DBs
CAS: 
50-56-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   C8x C    26.7400  -15.1900
            2   C8y C    26.7400  -16.5900
            3   C8x C    27.9300  -17.2900
            4   C8x C    29.1900  -16.5900
            5   C8y C    29.1900  -15.1900
            6   C8x C    27.9300  -14.4900
            7   O1a O    25.5500  -17.2900
            8   C1b C    30.3800  -14.4900
            9   C1y C    32.1300  -15.1900
            10  C5x C    33.3200  -14.4900
            11  N1x N    32.1300  -16.5900
            12  N1x N    34.5100  -15.1900
            13  O5x O    33.3200  -13.0900
            14  C5x C    30.9400  -17.2900
            15  C1y C    30.9400  -18.6900
            16  O5x O    29.7500  -16.5900
            17  N1a N    29.7500  -19.3900
            18  C1x C    32.1300  -19.3900
            19  S3x S    32.1300  -20.7900
            20  S3x S    33.3200  -21.4900
            21  C1x C    34.5100  -20.7900
            22  C1y C    35.7000  -21.4900
            23  N1x N    36.8900  -20.7900
            24  C5a C    35.7000  -22.8900
            25  O5a O    34.5100  -23.5900
            26  N1y N    36.8900  -23.5900
            27  C1y C    36.8900  -24.9900
            28  C1x C    38.2200  -25.4100
            29  C1x C    39.0600  -24.2900
            30  C1x C    38.2200  -23.1700
            31  C5a C    35.7700  -25.8300
            32  N1b N    34.5100  -25.2700
            33  O5a O    35.7700  -27.2300
            34  C5a C    32.1300  -25.2700
            35  C1c C    33.3200  -25.9700
            36  C1b C    33.3200  -27.3700
            37  C1c C    32.1300  -28.0700
            38  C1a C    30.9400  -27.3700
            39  C1a C    32.1300  -29.4700
            40  N1b N    30.9400  -25.9700
            41  O5a O    32.1300  -23.8700
            42  C1b C    29.7500  -25.2700
            43  C5a C    28.5600  -25.9700
            44  N1a N    27.3700  -25.2700
            45  O5a O    28.5600  -27.3700
            46  C5x C    36.8900  -19.3900
            47  O5x O    35.7000  -18.6900
            48  C1y C    38.0800  -18.6900
            49  N1x N    38.0800  -17.2900
            50  C5x C    39.2700  -16.5900
            51  O5x O    40.5300  -17.2900
            52  C1y C    39.2700  -15.1900
            53  N1x N    38.0800  -14.4900
            54  C5x C    36.8900  -15.1900
            55  C1y C    35.7000  -14.4900
            56  O5x O    36.8900  -16.5900
            57  C1c C    35.7000  -13.0900
            58  C1b C    36.8900  -12.3900
            59  C1a C    38.0800  -13.0900
            60  C1a C    34.5100  -12.3900
            61  C1b C    39.3400  -19.3900
            62  C1b C    40.4600  -14.4900
            63  C1b C    41.7200  -15.1900
            64  C5a C    42.9100  -14.4200
            65  N1a N    44.1000  -15.1200
            66  O5a O    42.9100  -13.0200
            67  C5a C    39.3400  -20.7900
            68  N1a N    40.5300  -21.4900
            69  O5a O    38.1500  -21.4900
BOND        71
            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     2   7 1
            8     5   8 1
            9     9   8 1 #Up
            10    9  10 1
            11    9  11 1
            12   10  12 1
            13   10  13 2
            14   11  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1 #Down
            18   15  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 1 #Down
            25   24  25 2
            26   24  26 1
            27   26  27 1
            28   27  28 1 #Up
            29   28  29 1
            30   29  30 1
            31   26  30 1
            32   27  31 1
            33   31  32 1
            34   31  33 2
            35   34  35 1
            36   35  32 1
            37   35  36 1 #Up
            38   36  37 1
            39   37  38 1
            40   37  39 1
            41   34  40 1
            42   34  41 2
            43   40  42 1
            44   42  43 1
            45   43  44 1
            46   43  45 2
            47   23  46 1
            48   46  47 2
            49   46  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 2
            53   50  52 1
            54   52  53 1
            55   53  54 1
            56   55  54 1 #Up
            57   55  12 1
            58   54  56 2
            59   55  57 1
            60   57  58 1
            61   58  59 1
            62   57  60 1 #Up
            63   48  61 1 #Up
            64   52  62 1 #Up
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   64  66 2
            69   61  67 1
            70   67  68 1
            71   67  69 2

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