KEGG   COMPOUND: C00746Help
Entry
C00746                      Compound                               

Name
Oxytocin;
Ocytocin;
OT;
OXT
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)
  Organism
Human [HSA:5020] [UP:NEU1_HUMAN]
  Type
Peptide
Remark
Same as: 
Pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Peptide hormones
   Oxytocin
    C00746  Oxytocin
Bioactive peptides [BR:br08005]
 Pituitary hormones
  Posterior pituitary hormone
   C00746  Oxytocin
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 (JP17/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 (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Oxytocin
    oxytocin receptor
     Oxytocin
      D00089  Oxytocin (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00089  Oxytocin
  D00089  Oxytocin injection
Endocrine and hormonal agents [br08373.html]
 Hormone related agents
  D00089
 Other gynecological agents
  D00089
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  942  Oxytocics
   9422  Posterior pituitary hormone and preparations
    C00746  Oxytocin
BRITE hierarchy
Other DBs
CAS: 
50-56-6
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   C8x C    17.5700  -10.0800
            2   C8y C    17.5700  -11.4800
            3   C8x C    18.7600  -12.1800
            4   C8x C    20.0200  -11.4800
            5   C8y C    20.0200  -10.0800
            6   C8x C    18.7600   -9.3800
            7   O1a O    16.3800  -12.1800
            8   C1b C    21.2100   -9.3800
            9   C1y C    22.9600  -10.0800
            10  C5x C    24.1500   -9.3800
            11  N1x N    22.9600  -11.4800
            12  N1x N    25.3400  -10.0800
            13  O5x O    24.1500   -7.9800
            14  C5x C    21.7700  -12.1800
            15  C1y C    21.7700  -13.5800
            16  O5x O    20.5800  -11.4800
            17  N1a N    20.5800  -14.2800
            18  C1x C    22.9600  -14.2800
            19  S3x S    22.9600  -15.6800
            20  S3x S    24.1500  -16.3800
            21  C1x C    25.3400  -15.6800
            22  C1y C    26.5300  -16.3800
            23  N1x N    27.7200  -15.6800
            24  C5a C    26.5300  -17.7800
            25  O5a O    25.3400  -18.4800
            26  N1y N    27.7200  -18.4800
            27  C1y C    27.7200  -19.8800
            28  C1x C    29.0500  -20.3000
            29  C1x C    29.8900  -19.1800
            30  C1x C    29.0500  -18.0600
            31  C5a C    26.6000  -20.7200
            32  N1b N    25.3400  -20.1600
            33  O5a O    26.6000  -22.1200
            34  C5a C    22.9600  -20.1600
            35  C1c C    24.1500  -20.8600
            36  C1b C    24.1500  -22.2600
            37  C1c C    22.9600  -22.9600
            38  C1a C    21.7700  -22.2600
            39  C1a C    22.9600  -24.3600
            40  N1b N    21.7700  -20.8600
            41  O5a O    22.9600  -18.7600
            42  C1b C    20.5800  -20.1600
            43  C5a C    19.3900  -20.8600
            44  N1a N    18.2000  -20.1600
            45  O5a O    19.3900  -22.2600
            46  C5x C    27.7200  -14.2800
            47  O5x O    26.5300  -13.5800
            48  C1y C    28.9100  -13.5800
            49  N1x N    28.9100  -12.1800
            50  C5x C    30.1000  -11.4800
            51  O5x O    31.3600  -12.1800
            52  C1y C    30.1000  -10.0800
            53  N1x N    28.9100   -9.3800
            54  C5x C    27.7200  -10.0800
            55  C1y C    26.5300   -9.3800
            56  O5x O    27.7200  -11.4800
            57  C1c C    26.5300   -7.9800
            58  C1b C    27.7200   -7.2800
            59  C1a C    28.9100   -7.9800
            60  C1a C    25.3400   -7.2800
            61  C1b C    30.1700  -14.2800
            62  C1b C    31.2900   -9.3800
            63  C1b C    32.5500  -10.0800
            64  C5a C    33.7400   -9.3100
            65  N1a N    34.9300  -10.0100
            66  O5a O    33.7400   -7.9100
            67  C5a C    30.1700  -15.6800
            68  N1a N    31.3600  -16.3800
            69  O5a O    28.9800  -16.3800
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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