KEGG   COMPOUND: C05143Help
Entry
C05143                      Compound                               

Name
Dhurrin;
(S)-4-Hydroxymandelonitrile beta-D-glucoside
Formula
C14H17NO7
Exact mass
311.1005
Mol weight
311.2873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Cyanoamino acid metabolism
Biosynthesis of secondary metabolites
Module
M00369  
Cyanogenic glycoside biosynthesis, tyrosine => dhurrin
Enzyme
2.4.1.85        3.2.1.21
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from thyrosine
    C05143  Dhurrin
BRITE hierarchy
Other DBs
CAS: 
499-20-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1y C    26.1968  -20.1418
            2   O2a O    27.4033  -19.4359
            3   O2x O    24.9776  -19.4424
            4   C1y C    26.1968  -21.5536
            5   C1c C    28.8472  -18.7429
            6   C1y C    23.7646  -20.1418
            7   C1y C    24.9776  -22.2660
            8   O1a O    27.4098  -22.2468
            9   C8y C    29.5337  -19.9622
            10  C3b C    29.9958  -18.1526
            11  C1y C    23.7646  -21.5536
            12  C1b C    22.5583  -19.4424
            13  O1a O    24.9711  -23.6586
            14  C8x C    28.8215  -21.1685
            15  C8x C    30.9200  -19.9814
            16  N3a N    31.2343  -17.5172
            17  O1a O    22.5518  -22.2468
            18  O1a O    21.3518  -20.1418
            19  C8x C    29.4952  -22.3879
            20  C8x C    31.6065  -21.1942
            21  C8y C    30.8943  -22.3944
            22  O1a O    31.5809  -23.6135
BOND        23
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Down
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14    9  15 2
            15   10  16 3
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 2
            19   15  20 1
            20   19  21 1
            21   21  22 1
            22    7  11 1
            23   20  21 2

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