KEGG   COMPOUND: C08325Help
Entry
C08325                      Compound                               

Name
Amygdalin;
(R)-Amygdalin;
(R)-Amygdaloside;
(R)-Laenitrile
Formula
C20H27NO11
Exact mass
457.1584
Mol weight
457.4285
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
3.2.1.21        3.2.1.117
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from phenylalanine
    C08325  Amygdalin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cyanogenic glycosides
    C08325  Amygdalin
Major components of natural products [BR:br08323]
 Crude drugs
  Apricot kernel water
   C08325  Amygdalin
  Apricot kernel
   C08325  Amygdalin
  Peach kernel
   C08325  Amygdalin
BRITE hierarchy
Other DBs
CAS: 29883-15-6
PubChem: 10523
ChEBI: 17019
ChEMBL: CHEMBL2007233 CHEMBL461727
KNApSAcK: C00001437
NIKKAJI: J21.549J
KCF data Show

ATOM        32
            1   C1y C    20.9096  -15.4509
            2   O2x O    19.6886  -14.7498
            3   O2a O    22.1191  -14.7498
            4   C1y C    20.9096  -16.8532
            5   C1y C    18.4851  -15.4509
            6   C1c C    23.3226  -15.4509
            7   C1y C    19.6886  -17.5543
            8   O1a O    22.1191  -17.5543
            9   C1y C    18.4851  -16.8532
            10  C1b C    17.2697  -14.7498
            11  C8y C    24.4970  -14.7088
            12  O1a O    19.6886  -18.9566
            13  O1a O    17.2697  -17.5543
            14  O2a O    16.2005  -15.6612
            15  C8x C    24.5086  -13.3123
            16  C8x C    25.7358  -15.3516
            17  C1y C    14.9910  -16.3683
            18  C8x C    25.6189  -12.5588
            19  C8x C    26.9158  -14.6036
            20  O2x O    13.7640  -15.6671
            21  C1y C    14.9910  -17.7705
            22  C8x C    26.9274  -13.2130
            23  C1y C    12.5604  -16.3740
            24  C1y C    13.7640  -18.4717
            25  O1a O    16.1946  -18.4717
            26  C1y C    12.5604  -17.7705
            27  C1b C    11.3452  -15.6671
            28  O1a O    13.7640  -19.8737
            29  O1a O    11.3452  -18.4717
            30  O1a O    10.2759  -16.5785
            31  C3b C    23.3694  -16.8473
            32  N3a N    23.3519  -18.2438
BOND        34
            1     1   2 1
            2     1   3 1 #Up
            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 #Up
            10    6  11 1
            11    7  12 1 #Up
            12    9  13 1 #Down
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16   17  14 1 #Up
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   21  24 1
            24   21  25 1 #Down
            25   23  26 1
            26   23  27 1 #Up
            27   24  28 1 #Up
            28   26  29 1 #Down
            29   27  30 1
            30    7   9 1
            31   19  22 1
            32   24  26 1
            33   31  32 3
            34    6  31 1 #Down

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