KEGG   COMPOUND: C02659Help
Entry
C02659                      Compound                               

Name
Acetone cyanohydrin;
alpha-Hydroxyisobutyronitrile;
2-Hydroxy-2-methylpropanenitrile;
2-Methyllactonitrile;
Acetone cyanhydrin;
2-Hydroxyisobutyronitrile
Formula
C4H7NO
Exact mass
85.0528
Mol weight
85.1045
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Cyanoamino acid metabolism
Biosynthesis of secondary metabolites
Enzyme
1.14.14.41      2.4.1.63        3.2.1.21        4.1.2.46
Other DBs
CAS: 
75-86-5
PubChem: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        6
            1   C1d C    23.5900  -19.5300
            2   C3b C    24.9900  -19.5300
            3   C1a C    22.1900  -19.5300
            4   C1a C    23.5900  -18.1300
            5   O1a O    23.5900  -20.9300
            6   N3a N    26.3900  -19.5300
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 3

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