KEGG   COMPOUND: C21450
Entry
C21450                      Compound                               
Name
4-(2-Hydroxyethoxycarbonyl)benzoate;
4-[(2-Hydroxyethoxy)carbonyl]benzoate;
Mono(2-hydroxyethyl) terephthalate;
Mono(ethylene terephthalate)
Formula
C10H10O5
Exact mass
210.0528
Mol weight
210.18
Structure
Reaction
R11540 R11541
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.101       3.1.1.102
Other DBs
PubChem: 329728073
PDB-CCD: C9C[PDBj]
LinkDB
KCF data

ATOM        15
            1   C8y C    18.0600  -14.6300
            2   C8x C    18.0600  -16.0300
            3   C8x C    19.2724  -16.7300
            4   C8y C    20.4849  -16.0300
            5   C8x C    20.4849  -14.6300
            6   C8x C    19.2724  -13.9300
            7   C6a C    21.7160  -16.7410
            8   C7a C    16.8476  -13.9300
            9   O7a O    15.6521  -14.6204
            10  O6a O    16.8475  -12.5302
            11  O6a O    22.9212  -16.0453
            12  O6a O    21.7157  -18.1299
            13  C1b C    14.4647  -13.9349
            14  C1b C    13.2735  -14.6229
            15  O1a O    12.0840  -13.9362
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     1   8 1
            9     8   9 1
            10    8  10 2
            11    7  11 1
            12    7  12 2
            13    9  13 1
            14   13  14 1
            15   14  15 1

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