KEGG   COMPOUND: C00561
Entry
C00561                      Compound                               
Name
Mandelonitrile;
Benzaldehyde cyanohydrin;
(R)-Mandelonitrile
Formula
C8H7NO
Exact mass
133.0528
Mol weight
133.1473
Structure
Reaction
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]
3DMET: B00132
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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