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 search
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01110  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: 5632
ChEBI: 15348
ChEMBL: CHEMBL1231861
PDB-CCD: CNH[PDBj]
3DMET: B00479
NIKKAJI: J1.468K
LinkDB All DBs
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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