 | | COMPOUND: C03634 | |
| Entry |
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| Name |
Phorbol 12,13-dibutanoate;
Phorbol-12,13-dibutyrate
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| Formula |
C28H40O8
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| Exact mass |
504.2723
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| Mol weight |
504.6124
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010433 Tigliane and ingenane diterpenoids
C03634 Phorbol 12,13-dibutanoate
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| Other DBs |
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| KCF data |
ATOM 36
1 C1z C 30.1291 -15.3531
2 C1y C 30.5311 -16.6863
3 C1y C 28.7639 -15.0533
4 C1z C 31.4817 -15.6784
5 O7a O 30.4738 -13.8666
6 C1y C 29.5869 -17.7072
7 C1y C 27.8199 -16.0739
8 O7a O 28.3556 -13.7262
9 C1a C 32.8085 -16.0293
10 C1a C 32.4578 -14.6895
11 C7a C 30.4738 -12.4822
12 C1z C 28.2409 -17.4010
13 C2x C 30.1866 -18.9511
14 C1a C 27.1117 -14.8745
15 C7a C 27.6539 -12.5270
16 C1b C 31.6795 -11.7870
17 O6a O 29.2744 -11.7870
18 C1y C 27.1500 -18.2557
19 O1a O 26.8693 -16.0867
20 C2y C 29.5869 -20.2079
21 C1b C 26.2695 -12.5333
22 O6a O 28.3429 -11.3211
23 C1b C 32.8789 -12.4822
24 C1z C 27.1627 -19.6529
25 C2x C 25.8231 -17.8411
26 C1x C 28.2409 -20.5141
27 C1b C 30.4545 -21.2924
28 C1b C 25.5805 -13.7390
29 C1a C 34.0845 -11.7870
30 C5x C 25.8359 -20.0867
31 O1a O 27.1627 -21.0373
32 C2y C 25.0192 -18.9574
33 O1a O 29.9506 -22.5812
34 C1a C 24.1899 -13.7517
35 O5x O 25.4083 -21.4073
36 C1a C 23.6348 -18.9574
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1 #Down
14 8 15 1
15 11 16 1
16 11 17 2
17 12 18 1
18 12 19 1 #Down
19 13 20 2
20 15 21 1
21 15 22 2
22 16 23 1
23 18 24 1
24 18 25 1
25 20 26 1
26 20 27 1
27 21 28 1
28 23 29 1
29 24 30 1
30 24 31 1 #Up
31 25 32 2
32 27 33 1
33 28 34 1
34 30 35 2
35 32 36 1
36 2 4 1
37 7 12 1
38 24 26 1
39 30 32 1
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