KEGG   COMPOUND: C03742Help
Entry
C03742                      Compound                               

Name
(S)-4-Hydroxymandelonitrile
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.1467
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00460  Cyanoamino acid metabolism
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 Show

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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