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
map00460  Cyanoamino acid metabolism
map01110  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: 4749
ChEBI: 16441
ChEMBL: CHEMBL3039425
KNApSAcK: C00001446
NIKKAJI: J6.462I
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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