Entry |
|
Name |
Delta-12-Prostaglandin J2;
Delta-12-PGJ2
|
Formula |
C20H30O4
|
Exact mass |
334.2144
|
Mol weight |
334.45
|
Structure |
|
Reaction |
|
Pathway |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C05958 delta-12-Prostaglandin J2
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C2y C 20.8537 -26.0071
2 C1y C 20.8410 -24.6064
3 C5x C 19.4322 -26.3758
4 C2b C 21.9958 -26.6950
5 C2x C 19.5222 -24.1233
6 C1b C 22.0450 -23.8857
7 C2x C 18.6540 -25.2126
8 O5x O 18.7032 -27.5962
9 C1b C 23.2080 -25.9907
10 C2b C 23.2571 -24.5900
11 C1c C 24.4203 -26.6869
12 C2b C 24.4695 -23.8774
13 C1b C 25.6160 -25.9824
14 O1a O 24.4120 -28.0874
15 C1b C 24.4695 -22.4769
16 C1b C 26.8365 -26.6786
17 C1b C 25.6652 -21.7888
18 C1b C 28.0405 -25.9744
19 C1b C 25.6652 -20.3883
20 C1b C 29.2529 -26.6622
21 C6a C 26.8776 -19.6757
22 C1a C 30.4650 -25.9660
23 O6a O 26.8693 -18.2750
24 O6a O 28.0897 -20.3883
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 2
8 4 9 1
9 6 10 1
10 9 11 1
11 10 12 2
12 11 13 1
13 11 14 1 #Down
14 12 15 1
15 13 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 5 7 2
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