KEGG   COMPOUND: C05593Help
Entry
C05593                      Compound                               

Name
3-Hydroxyphenylacetate;
3-Hydroxyphenylacetic acid
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map00360  Phenylalanine metabolism
map00643  Styrene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.63      1.14.14.9
Other DBs
CAS: 621-37-4
PubChem: 7917
ChEBI: 17445
ChEMBL: CHEMBL190035
PDB-CCD: 3HP[PDBj]
3DMET: B00801
NIKKAJI: J3.004J
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    22.0518  -22.4759
            2   C8x C    22.0518  -23.8747
            3   C8x C    23.2673  -24.5707
            4   C8x C    24.4755  -23.8747
            5   C8y C    24.4755  -22.4759
            6   C8x C    23.2673  -21.7728
            7   O1a O    20.8397  -21.7722
            8   C1b C    25.6885  -21.7737
            9   C6a C    26.9005  -22.4776
            10  O6a O    28.1136  -21.7755
            11  O6a O    26.8994  -23.8766
BOND        11
            1     5   6 2
            2     6   1 1
            3     1   7 1
            4     1   2 2
            5     5   8 1
            6     2   3 1
            7     8   9 1
            8     3   4 2
            9     9  10 1
            10    4   5 1
            11    9  11 2

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