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 search
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01110  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: 7561
ChEBI: 27826
KNApSAcK: C00001442
3DMET: B01815
NIKKAJI: J10.589I
LinkDB All DBs
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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