KEGG   COMPOUND: C00561
Entry
C00561                      Compound                               
Name
Mandelonitrile;
Benzaldehyde cyanohydrin;
(R)-Mandelonitrile
Formula
C8H7NO
Exact mass
133.0528
Mol weight
133.15
Structure
Reaction
R01767 R02558 R03642 R10637 R10638 R11380 R11732 R11733
Pathway
map00460  Cyanoamino acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.3.49        1.14.14.44      1.14.14.77      2.4.1.354       
3.2.1.21        3.2.1.118       3.2.1.119       4.1.2.10
Other DBs
PubChem: 3841
PDB-CCD: MXN[PDBj]
NIKKAJI: J6.985J
LinkDB
KCF data

ATOM        10
            1   C8y C    18.0269  -16.1638
            2   C1c C    18.0269  -14.7745
            3   C8x C    16.8232  -16.8615
            4   C8x C    19.2496  -16.8615
            5   C3b C    19.2303  -14.0703
            6   O1a O    16.8167  -14.0766
            7   C8x C    16.8232  -18.2699
            8   C8x C    19.2496  -18.2699
            9   N3a N    20.4340  -13.3724
            10  C8x C    18.0269  -18.9806
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 2
            8     5   9 3
            9     7  10 2
            10    8  10 1

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