KEGG   COMPOUND: C03742
Entry
C03742                      Compound                               
Name
(S)-4-Hydroxymandelonitrile
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.1467
Structure
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00369  Cyanogenic glycoside biosynthesis, tyrosine => dhurrin
Enzyme
1.14.14.37      2.4.1.85        3.2.1.21        4.1.2.11
Other DBs
PubChem: 6505
ChEBI: 16660
PDB-CCD: DHR[PDBj]
3DMET: B01688
NIKKAJI: J231.681A
KCF data

ATOM        11
            1   C8y C    17.8423  -14.0294
            2   C8x C    16.6316  -14.7274
            3   C8x C    19.0592  -14.7274
            4   C1c C    17.8358  -12.6394
            5   C8x C    16.6316  -16.1365
            6   C8x C    19.0592  -16.1365
            7   C3b C    19.0400  -11.9411
            8   O1a O    16.6252  -11.9476
            9   C8y C    17.8423  -16.8476
            10  N3a N    20.2443  -11.2366
            11  O1a O    17.8358  -18.2439
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 2
            9     7  10 3
            10    9  11 1
            11    6   9 1

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