Entry |
|
Name |
Oleanolic acid;
3beta-Hydroxyolean-12-en-28-oic acid;
Astrantiagenin C;
Caryophyllin;
Oleanolate
|
Formula |
C30H48O3
|
Exact mass |
456.3603
|
Mol weight |
456.70
|
Structure |
|
Reaction |
|
Pathway |
map00999 | Biosynthesis of various plant secondary metabolites |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00971 | QS-7 biosynthesis, 2,3-epoxysqualene => QS-7 |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010615 Oleanane triterpenoids
C17148 Oleanolic acid
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Oleananes
C17148 Oleanolic acid
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 33
1 C1x C 27.0994 -24.2211
2 C1y C 27.0994 -25.6281
3 C1z C 28.3179 -26.3316
4 C1y C 29.5366 -25.6281
5 C1z C 29.5366 -24.2211
6 C1x C 28.3179 -23.5176
7 C1x C 30.7551 -26.3316
8 C1x C 31.9736 -25.6281
9 C1z C 31.9736 -24.2211
10 C1y C 30.7551 -23.5176
11 C1z C 33.1921 -23.5176
12 C2y C 33.1921 -22.1105
13 C2x C 31.9736 -21.4070
14 C1x C 30.7551 -22.1105
15 C1x C 34.4106 -24.2211
16 C1x C 35.6291 -23.5176
17 C1z C 35.6291 -22.1105
18 C1y C 34.4106 -21.4070
19 C1x C 36.8477 -21.4070
20 C1x C 36.8477 -20.0000
21 C1z C 35.6291 -19.2965
22 C1x C 34.4106 -20.0000
23 C1a C 34.7856 -18.0779
24 C1a C 36.3326 -18.0779
25 C6a C 36.8477 -22.8140
26 O6a O 37.2118 -24.1731
27 O6a O 38.0662 -22.1105
28 C1a C 33.1921 -24.9246
29 C1a C 31.9736 -23.3040
30 C1a C 29.5366 -22.8140
31 O1a O 25.8809 -26.3316
32 C1a C 27.6144 -27.6901
33 C1a C 29.2314 -27.6901
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 21 23 1
28 21 24 1
29 17 25 1 #Up
30 25 26 1
31 25 27 2
32 11 28 1 #Down
33 9 29 1 #Up
34 5 30 1 #Up
35 2 31 1 #Up
36 3 32 1
37 3 33 1
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