COMPOUND: C23144
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Entry
C23144 Compound
Name
Chrysanthemoyl-CoA;
(1R,3R)-Chrysanthemoyl-CoA
Formula
C31H50N7O17P3S
Exact mass
917.2197
Mol weight
917.75
Structure
Mol file
KCF file
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Reaction
R13657
R13663
R13664
R13665
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KCF data
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ATOM 59
1 C1y C 16.6335 -18.5225
2 C1y C 15.2362 -18.5225
3 C1z C 15.9319 -17.3064
4 C2b C 14.0200 -17.8209
5 C1a C 15.2245 -16.0902
6 C1a C 16.6218 -16.0902
7 C2c C 12.8156 -18.5225
8 C1a C 11.6053 -17.8209
9 C1a C 12.8156 -19.9200
10 C5a C 17.8249 -17.7800
11 S2a S 19.0373 -18.4800
12 C1b C 20.2497 -17.7800
13 C1b C 21.4622 -18.4800
14 N1b N 22.6746 -17.7800
15 C5a C 23.8870 -18.4800
16 C1b C 25.0995 -17.7800
17 C1b C 26.3119 -18.4800
18 N1b N 27.5244 -17.7800
19 C5a C 28.7368 -18.4800
20 C1c C 29.9492 -17.7800
21 C1d C 31.1617 -18.4800
22 C1b C 32.3741 -17.7800
23 O2b O 33.5865 -18.4800
24 O5a O 17.8249 -16.3802
25 O5a O 23.8870 -19.8799
26 O5a O 28.7368 -19.8796
27 O1a O 29.9492 -16.3800
28 C1a C 31.1617 -17.0800
29 C1a C 31.1617 -19.8800
30 P1b P 34.9865 -18.4800
31 O1c O 36.3865 -18.4800
32 O1c O 34.9865 -19.8800
33 C1y C 28.4900 -13.5100
34 C1y C 29.8900 -13.5100
35 C1y C 30.3226 -12.1785
36 O2x O 29.1900 -11.3556
37 C1y C 28.0574 -12.1785
38 C1b C 31.6422 -11.7497
39 O1a O 27.6671 -14.6426
40 O2b O 30.7129 -14.6426
41 P1b P 32.1129 -14.6426
42 O1c O 32.1129 -13.2426
43 O1c O 33.5129 -14.6426
44 O1c O 32.1129 -16.0426
45 C8y C 23.9400 -10.3600
46 C8y C 23.9400 -11.7600
47 N4y N 26.3649 -11.7600
48 C8x C 26.3649 -10.3600
49 N5x N 25.1524 -9.6600
50 C8y C 22.7276 -9.6600
51 N5x N 21.5151 -10.3600
52 C8x C 21.5151 -11.7600
53 N5x N 22.7276 -12.4600
54 N1a N 22.7276 -8.2602
55 O2b O 33.6245 -12.1820
56 P1b P 35.0245 -12.1820
57 O1c O 35.0245 -10.7820
58 O1c O 36.4245 -12.1820
59 O2c O 35.0245 -15.4020
BOND 62
1 1 2 1
2 1 3 1
3 2 4 1 #Up
4 3 5 1
5 3 6 1
6 4 7 2
7 7 8 1
8 7 9 1
9 2 3 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 10 24 2
24 15 25 2
25 19 26 2
26 20 27 1 #Down
27 21 28 1
28 21 29 1
29 23 30 1
30 30 31 2
31 30 32 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 33 37 1
37 35 38 1 #Down
38 33 39 1 #Up
39 34 40 1 #Up
40 40 41 1
41 41 42 1
42 41 43 1
43 41 44 2
44 45 46 2
45 46 47 1
46 47 48 1
47 48 49 2
48 45 49 1
49 45 50 1
50 50 51 2
51 51 52 1
52 52 53 2
53 46 53 1
54 50 54 1
55 37 47 1 #Down
56 38 55 1
57 55 56 1
58 56 57 1
59 56 58 2
60 56 59 1
61 30 59 1
62 1 10 1 #Down
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