COMPOUND: C21170
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Entry
C21170 Compound
Name
N1,N8-Bis(sinapoyl)spermidine;
N1,N10-Disinapoyl spermidine
Formula
C29H39N3O8
Exact mass
557.2737
Mol weight
557.63
Structure
Mol file
KCF file
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Reaction
R11199
Enzyme
2.3.1.248
Other DBs
PubChem:
313369430
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KCF data
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ATOM 40
1 C8y C 5.8780 -14.7667
2 C8y C 5.8780 -16.1663
3 C8y C 7.0903 -16.8662
4 C8x C 8.3025 -16.1663
5 C8y C 8.3025 -14.7667
6 C8x C 7.0903 -14.0668
7 C2b C 9.5396 -14.0668
8 C2b C 10.7518 -14.7667
9 C5a C 11.9641 -14.0668
10 N1b N 13.1763 -14.7667
11 C1b C 14.3885 -14.0668
12 C1b C 15.6005 -14.7667
13 C1b C 16.8126 -14.0668
14 N1b N 18.0249 -14.7667
15 C1b C 19.2371 -14.0668
16 C1b C 20.4492 -14.7667
17 C1b C 21.6614 -14.0668
18 C1b C 22.8735 -14.7667
19 N1b N 24.0858 -14.0668
20 C5a C 25.2979 -14.7667
21 C2b C 26.5099 -14.0668
22 C2b C 27.7222 -14.7667
23 C8y C 28.9343 -14.0668
24 O1a O 4.6660 -16.8662
25 O5a O 11.9641 -12.6670
26 O5a O 25.2979 -16.1659
27 C8x C 30.1465 -14.7667
28 C8y C 31.3587 -14.0668
29 C8y C 31.3587 -12.6670
30 C8y C 30.1465 -11.9672
31 C8x C 28.9343 -12.6670
32 O1a O 32.5661 -11.9699
33 O2a O 4.6658 -14.0666
34 O2a O 32.5655 -14.7636
35 C1a C 3.4713 -14.7563
36 C1a C 33.8023 -14.0491
37 O2a O 7.0903 -18.2681
38 O2a O 30.1466 -10.5691
39 C1a C 31.3742 -9.8603
40 C1a C 5.8779 -18.9681
BOND 41
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 2 24 1
25 9 25 2
26 20 26 2
27 23 27 2
28 27 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 23 31 1
33 29 32 1
34 1 33 1
35 28 34 1
36 33 35 1
37 34 36 1
38 3 37 1
39 30 38 1
40 38 39 1
41 37 40 1
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