KEGG   COMPOUND: C03742
Entry
C03742                      Compound                               
Name
(S)-4-Hydroxymandelonitrile
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.15
Structure
Reaction
R02676 R02708 R04296 R05728 R10035
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]
NIKKAJI: J231.681A
LinkDB
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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