KEGG   COMPOUND: C21779
Entry
C21779                      Compound                               
Name
Baeocystin;
4-Hydroxy-N-methyltryptamine 4-phosphate
Formula
C11H15N2O4P
Exact mass
270.0769
Mol weight
270.2216
Structure
Reaction
R11935 R11936
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00962  Psilocybin biosynthesis, tryptophan => psilocybin
Enzyme
2.1.1.345
Other DBs
CAS: 21420-58-6
PubChem: 354339122
PDB-CCD: XPN[PDBj]
LinkDB
KCF data

ATOM        18
            1   C8x C    16.0357  -17.1560
            2   C8x C    16.0357  -18.5565
            3   C8x C    17.2262  -19.2568
            4   C8y C    18.4166  -18.5565
            5   C8y C    18.4166  -17.1560
            6   C8y C    17.2262  -16.4558
            7   N4x N    19.7471  -18.9767
            8   C8x C    20.5874  -17.8563
            9   C8y C    19.7471  -16.7359
            10  C1b C    20.2373  -15.3353
            11  C1b C    21.5678  -15.0552
            12  N1b N    22.5482  -16.1056
            13  O2b O    17.2262  -15.0552
            14  P1b P    16.0133  -14.3550
            15  O1c O    14.8004  -13.6547
            16  O1c O    16.7136  -13.1421
            17  O1c O    15.3131  -15.5678
            18  C1a C    23.9056  -15.7916
BOND        19
            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

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