KEGG   COMPOUND: C01594Help
Entry
C01594                      Compound                               

Name
Linamarin;
Phaseolunatin
Formula
C10H17NO6
Exact mass
247.1056
Mol weight
247.2451
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Cyanoamino acid metabolism
Biosynthesis of secondary metabolites
Enzyme
2.4.1.63        3.2.1.21
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from valine or isoleucine
    C01594  Linamarin
BRITE hierarchy
Other DBs
CAS: 
554-35-8
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1y C    26.7835  -20.2459
            2   O2x O    25.5932  -19.5631
            3   C1y C    26.7835  -21.6050
            4   O2a O    28.1649  -18.8157
            5   C1y C    24.4095  -20.2459
            6   C1y C    25.5932  -22.2877
            7   O1a O    27.9610  -22.2877
            8   C1d C    29.5303  -18.8157
            9   C1y C    24.4095  -21.6050
            10  C1b C    23.2445  -19.5631
            11  O1a O    25.5932  -23.7829
            12  C3b C    29.5449  -20.1248
            13  C1a C    29.5303  -17.4503
            14  C1a C    30.8216  -18.8157
            15  O1a O    23.2445  -22.2877
            16  O1a O    22.1985  -20.4401
            17  N3a N    29.5553  -21.4841
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 1
            13    8  14 1
            14    9  15 1 #Down
            15   10  16 1
            16   12  17 3
            17    6   9 1

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