COMPOUND: C20627
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Entry
C20627 Compound
Name
CDP-2,3-bis-(O-phytanyl)-sn-glycerol
Formula
C52H101N3O13P2
Exact mass
1037.6810
Mol weight
1038.32
Structure
Mol file
KCF file
DB search
Reaction
R10441
R10464
Enzyme
2.7.8.38
2.7.8.39
Other DBs
PubChem:
172232351
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KCF data
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ATOM 70
1 O2b O 17.7962 -11.0277
2 C1b C 17.7962 -12.4253
3 C1c C 16.6082 -13.1241
4 O2a O 15.3504 -12.4253
5 C1b C 16.6082 -14.5216
6 C1b C 14.1625 -13.1241
7 O2a O 15.3504 -15.2204
8 C1b C 12.9047 -12.4253
9 C1b C 14.1625 -15.9192
10 C1c C 11.7167 -13.1241
11 C1b C 14.1625 -17.3167
12 C1b C 10.5288 -12.4253
13 C1a C 11.7167 -14.5216
14 C1c C 12.9047 -18.0155
15 C1b C 9.2710 -13.1241
16 C1b C 12.9047 -19.4131
17 C1a C 11.7167 -17.3167
18 C1b C 8.0831 -12.4253
19 C1b C 11.7167 -20.1119
20 C1c C 6.8952 -13.1241
21 C1b C 11.7167 -21.5094
22 C1b C 5.6373 -12.4952
23 C1a C 6.8952 -14.5216
24 C1c C 10.4589 -22.2082
25 C1b C 5.6373 -10.9578
26 C1b C 10.4589 -23.6058
27 C1a C 9.2710 -21.5094
28 C1b C 6.6855 -10.2591
29 C1b C 11.7167 -24.3744
30 C1c C 8.0132 -10.2591
31 C1b C 12.9047 -23.8154
32 C1b C 8.7120 -9.0711
33 C1a C 8.8517 -11.4470
34 C1c C 14.0926 -24.5142
35 C1b C 10.1096 -9.0711
36 C1b C 15.3504 -23.8154
37 C1a C 14.0926 -25.9118
38 C1b C 10.8083 -7.8133
39 C1b C 16.5383 -24.5142
40 C1c C 12.2059 -7.8133
41 C1b C 17.7263 -23.8154
42 C1a C 12.9047 -6.6254
43 C1a C 12.9047 -9.0711
44 C1c C 18.9841 -24.5142
45 C1a C 20.1720 -23.8154
46 C1a C 18.9841 -25.9118
47 C1y C 26.6008 -9.0711
48 O2x O 25.5526 -8.3025
49 C1y C 26.1815 -10.4687
50 C1y C 24.2948 -9.1410
51 C1y C 24.7141 -10.4687
52 O1a O 27.0201 -11.5867
53 C1b C 22.9671 -8.7217
54 O1a O 23.8756 -11.5867
55 O2b O 21.9190 -9.6302
56 P1b P 20.5214 -9.6302
57 O2c O 19.1238 -9.6302
58 O1c O 20.5214 -11.0277
59 O1c O 20.5214 -8.2326
60 P1b P 17.7962 -9.6302
61 O1c O 16.3986 -9.6302
62 O1c O 17.7962 -8.2326
63 N4y N 27.9285 -8.6519
64 C8y C 29.1863 -9.3506
65 C8x C 27.9285 -7.2543
66 N5x N 30.3742 -8.5820
67 O5x O 29.1863 -10.7482
68 C8x C 29.1164 -6.5555
69 C8y C 30.3742 -7.1844
70 N1a N 31.5621 -6.4856
BOND 71
1 1 2 1
2 2 3 1
3 3 4 1 #Down
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 1
17 15 18 1
18 16 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 24 26 1
26 24 27 1
27 25 28 1
28 26 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 30 33 1
33 31 34 1
34 32 35 1
35 34 36 1
36 34 37 1
37 35 38 1
38 36 39 1
39 38 40 1
40 39 41 1
41 40 42 1
42 40 43 1
43 41 44 1
44 44 45 1
45 44 46 1
46 47 48 1
47 47 49 1
48 48 50 1
49 49 51 1
50 49 52 1 #Down
51 50 53 1 #Up
52 51 54 1 #Down
53 53 55 1
54 55 56 1
55 56 57 1
56 56 58 1
57 56 59 2
58 57 60 1
59 60 1 1
60 60 61 1
61 60 62 2
62 50 51 1
63 47 63 1 #Up
64 63 64 1
65 63 65 1
66 64 66 1
67 64 67 2
68 65 68 2
69 66 69 2
70 69 70 1
71 68 69 1
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