KEGG   COMPOUND: C07576
Entry
C07576                      Compound                               
Name
Psilocybin;
Psilocybine
Formula
C12H17N2O4P
Exact mass
284.0926
Mol weight
284.25
Structure
Remark
Same as: D12881
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00962  Psilocybin biosynthesis, tryptophan => psilocybin
Enzyme
2.1.1.345       2.7.1.222
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mushroom toxins
   Alkaloids
    C07576  Psilocybin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C07576
Prodrugs [br08324.html]
 C07576
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D12881  Psilocybin (USAN)
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  D12881
Other DBs
CAS: 520-52-5
PubChem: 9779
ChEBI: 8614
PDB-CCD: X8Q[PDBj]
NIKKAJI: J6.604D
LinkDB
KCF data

ATOM        19
            1   C8x C    15.3397  -17.1603
            2   C8x C    15.3397  -18.5612
            3   C8x C    16.5305  -19.2616
            4   C8y C    17.7212  -18.5612
            5   C8y C    17.7212  -17.1603
            6   C8y C    16.5305  -16.4599
            7   N4x N    19.0521  -18.9815
            8   C8x C    19.8926  -17.8608
            9   C8y C    19.0521  -16.7401
            10  C1b C    19.5424  -15.3391
            11  C1b C    20.8732  -15.0590
            12  N1c N    21.8539  -16.1096
            13  O2b O    16.5305  -15.0590
            14  P1b P    15.3173  -14.3586
            15  O1c O    14.1041  -13.6581
            16  O1c O    16.0178  -13.1454
            17  O1c O    14.6169  -15.5717
            18  C1a C    23.2116  -15.7956
            19  C1a C    21.4466  -17.4436
BOND        20
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 1
            14    6  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   14  17 2
            19   12  18 1
            20   12  19 1

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