| Entry |
|
|---|
| Name |
Bis(2-ethylhexyl)phthalate;
Di(2-ethylhexyl)phthalate;
Dioctyl phthalate;
DEHP
|
|---|
| Formula |
C24H38O4
|
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| Exact mass |
390.277
|
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| Mol weight |
390.5561
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map05207 | Chemical carcinogenesis - receptor activation |
|
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| Enzyme |
|
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| Brite |
Endocrine disrupting compounds [BR:br08006]
Plasticizers and plastics
Phthalates
C03690 Diethylhexyl phthalate
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 28
1 C8x C 9.9400 -17.7800
2 C8x C 9.9400 -19.1800
3 C8x C 11.1524 -19.8800
4 C8y C 12.3649 -19.1800
5 C8y C 12.3649 -17.7800
6 C8x C 11.1524 -17.0800
7 C7a C 13.6024 -17.0800
8 O7a O 13.6086 -15.6803
9 O6a O 14.7934 -17.7783
10 C1b C 14.8025 -14.9977
11 C1c C 15.9800 -15.6842
12 C1b C 17.1820 -14.9969
13 C1b C 18.3603 -15.6837
14 C1b C 19.5618 -14.9965
15 C1b C 15.9741 -17.0799
16 C1a C 17.1865 -17.7799
17 C1a C 20.7404 -15.6834
18 C7a C 13.5960 -19.8910
19 O6a O 14.8012 -19.1953
20 O7a O 13.5957 -21.2799
21 C1b C 14.7962 -21.9734
22 C1c C 15.9862 -21.2866
23 C1b C 17.1760 -21.9738
24 C1b C 18.3663 -21.2868
25 C1b C 15.9866 -19.8803
26 C1a C 17.1792 -19.1919
27 C1b C 19.5559 -21.9740
28 C1a C 20.7464 -21.2868
BOND 28
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 5 7 1
8 7 8 1
9 7 9 2
10 8 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 11 15 1
16 15 16 1
17 14 17 1
18 4 18 1
19 18 19 2
20 18 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 22 25 1
26 25 26 1
27 24 27 1
28 27 28 1
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