Entry |
|
Name |
all-trans-4-Oxoretinoic acid
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Formula |
C20H26O3
|
Exact mass |
314.1882
|
Mol weight |
314.42
|
Structure |
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Pathway |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0109 Retinoids
C16678 all-trans-4-Oxoretinoic acid
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Other DBs |
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LinkDB |
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KCF data |
ATOM 23
1 C2y C 26.9202 -21.0950
2 C1z C 26.9202 -22.5056
3 C2y C 25.6954 -20.3960
4 C2b C 28.1255 -20.3898
5 C1x C 25.6954 -23.2174
6 C5x C 24.4900 -21.0950
7 C1a C 25.6890 -18.9983
8 C2b C 29.3376 -21.0887
9 C1x C 24.4900 -22.5056
10 C2c C 30.5428 -20.3832
11 C2b C 31.7484 -21.0822
12 C1a C 30.5365 -18.9920
13 C2b C 32.9539 -20.3769
14 C2b C 34.1656 -21.0694
15 C2c C 35.3711 -20.3706
16 C2b C 36.5830 -21.0631
17 C1a C 35.3647 -18.9791
18 C6a C 37.7885 -20.3641
19 O6a O 38.9939 -21.0631
20 O6a O 37.7756 -18.9727
21 O5x O 23.2669 -20.3904
22 C1a C 28.3317 -22.5056
23 C1a C 27.2870 -23.8668
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 8 10 1
10 10 11 2
11 10 12 1
12 11 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 18 19 1
19 18 20 2
20 6 9 1
21 6 21 2
22 2 22 1
23 2 23 1
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