KEGG   COMPOUND: C03198
Entry
C03198                      Compound                               
Name
(S)-4-Hydroxymandelate;
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;
L-4-Hydroxymandelate;
L-p-Hydroxymandelate
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Comment
4-Hydroxymandelate [CPD:C11527]
Reaction
R02673 R03794 R04160 R04161 R06632 R06633
Pathway
map00261  Monobactam biosynthesis
map00627  Aminobenzoate degradation
map01055  Biosynthesis of vancomycin group antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.3.19        1.1.3.46        1.1.99.31       1.13.11.46      
1.14.16.6       5.1.2.2
Other DBs
PubChem: 6075
ChEBI: 17210 32802
PDB-CCD: HHH[PDBj]
3DMET: B00557
NIKKAJI: J74.174D
LinkDB
KCF data

ATOM        12
            1   C1c C    27.6827  -15.2485
            2   C8y C    26.4734  -15.9495
            3   C6a C    28.8984  -15.9431
            4   O1a O    27.6827  -13.9871
            5   C8x C    26.4734  -17.3647
            6   C8x C    25.2450  -15.2485
            7   O6a O    28.8984  -17.4156
            8   O6a O    30.1075  -15.2357
            9   C8x C    25.2450  -18.0784
            10  C8x C    24.0358  -15.9495
            11  C8y C    24.0358  -17.3647
            12  O1a O    22.8202  -18.0592
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     5   9 1
            9     6  10 2
            10    9  11 2
            11   11  12 1
            12   10  11 1

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