KEGG   COMPOUND: C14127Help
Entry
C14127                      Compound                               

Name
Acotiamide;
MZ-338
Formula
C21H30N4O5S
Exact mass
450.1937
Mol weight
450.5517
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: amine receptors
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M1
     C14127  Acotiamide
    muscarinic cholinergic receptor M2
     C14127  Acotiamide
  Rhodopsin family: other receptors
   Adenosine
    adenosine A1 receptor
     C14127  Acotiamide
 Enzymes
  Hydrolases
   ACHE; acetylcholinesterase
    C14127  Acotiamide
BRITE hierarchy
Other DBs
CAS: 185106-16-5
PubChem: 7846941
ChEBI: 34523
ChEMBL: CHEMBL2107723
NIKKAJI: J1.360.929B
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    29.3300  -20.3700
            2   S2x S    28.8400  -19.0400
            3   C8x C    27.4400  -19.0400
            4   C8y C    27.0200  -20.3700
            5   N5x N    28.1400  -21.1400
            6   C5a C    25.7600  -21.0000
            7   N1b N    24.5700  -20.3000
            8   C1b C    23.3100  -21.0000
            9   C1b C    22.1200  -20.3000
            10  N1c N    20.9300  -21.0000
            11  C1c C    19.6700  -20.3000
            12  C1a C    18.4800  -21.0000
            13  O5a O    25.7600  -22.4000
            14  C1c C    20.9300  -22.4000
            15  C1a C    19.6700  -23.1000
            16  C1a C    22.1200  -23.1000
            17  C1a C    19.6700  -18.9000
            18  N1b N    30.8136  -20.9706
            19  C5a C    31.9883  -20.3313
            20  C8y C    33.1730  -21.0673
            21  C8x C    33.1831  -22.4425
            22  C8y C    34.3678  -23.1785
            23  C8y C    35.6103  -22.5566
            24  C8x C    35.6002  -21.1813
            25  C8y C    34.4155  -20.4454
            26  O5a O    31.9760  -18.9734
            27  O1a O    34.4206  -19.0196
            28  O2a O    36.7951  -23.2926
            29  O2a O    34.3628  -24.6043
            30  C1a C    33.1008  -25.3114
            31  C1a C    37.9871  -22.5855
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 2
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    6  13 2
            14   10  14 1
            15   14  15 1
            16   14  16 1
            17   11  17 1
            18   18  19 1
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26   19  26 2
            27   25  27 1
            28   23  28 1
            29   22  29 1
            30   29  30 1
            31   28  31 1
            32    1  18 1

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