COMPOUND: C20518
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Entry
C20518 Compound
Name
2,3-Bis-(O-phytanyl)-sn-glycerol 1-phosphate
Formula
C43H89O6P
Exact mass
732.6397
Mol weight
733.14
Structure
Mol file
KCF file
DB search
Reaction
R10325
R10326
R10331
Pathway
map00564
Glycerophospholipid metabolism
map01110
Biosynthesis of secondary metabolites
Enzyme
1.3.1.101
1.3.7.11
Other DBs
PubChem:
172232267
PDB-CCD:
L1P
[
PDBj
]
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KCF data
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ATOM 50
1 P1b P 23.5042 -9.5221
2 O2b O 23.5042 -10.9261
3 O1c O 22.1002 -9.5288
4 O1c O 23.4975 -8.1181
5 O1c O 24.9015 -9.5221
6 C1b C 23.5107 -12.3301
7 C1c C 22.2979 -13.0287
8 O2a O 21.0852 -12.3366
9 C1b C 22.2979 -14.4327
10 C1b C 19.8724 -13.0354
11 O2a O 21.0785 -15.1313
12 C1b C 18.6529 -12.3366
13 C1b C 19.8592 -15.8300
14 C1c C 17.4402 -13.0419
15 C1b C 19.8525 -17.2339
16 C1b C 16.2207 -12.3366
17 C1a C 17.4402 -14.4459
18 C1c C 18.6332 -17.9261
19 C1b C 15.0079 -13.0419
20 C1b C 18.6265 -19.3301
21 C1a C 17.4271 -17.2208
22 C1b C 13.7953 -12.3433
23 C1b C 17.4072 -20.0220
24 C1c C 12.5824 -13.0419
25 C1b C 17.4007 -21.4260
26 C1b C 11.3696 -12.3564
27 C1a C 12.5824 -14.4459
28 C1c C 16.1812 -22.1246
29 C1b C 11.3629 -10.8733
30 C1b C 16.1812 -23.5286
31 C1a C 14.9685 -21.4128
32 C1b C 12.3913 -10.1483
33 C1b C 17.4599 -24.2800
34 C1c C 13.7161 -10.1483
35 C1b C 18.6135 -23.7593
36 C1b C 14.4148 -8.9290
37 C1a C 14.5268 -11.3743
38 C1c C 19.8261 -24.4580
39 C1b C 15.8187 -8.9290
40 C1b C 21.0390 -23.7528
41 C1a C 19.8328 -25.8619
42 C1b C 16.5239 -7.7162
43 C1b C 22.2585 -24.4515
44 C1c C 17.9214 -7.7162
45 C1b C 23.4711 -23.7461
46 C1a C 18.6265 -6.5033
47 C1a C 18.6265 -8.9290
48 C1c C 24.6906 -24.4448
49 C1a C 25.9033 -23.7396
50 C1a C 24.6906 -25.8487
BOND 49
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 6 7 1
7 7 8 1 #Down
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 14 17 1 #Down
17 15 18 1
18 16 19 1
19 18 20 1
20 18 21 1 #Up
21 19 22 1
22 20 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 24 27 1 #Down
27 25 28 1
28 26 29 1
29 28 30 1
30 28 31 1 #Up
31 29 32 1
32 30 33 1
33 32 34 1
34 33 35 1
35 34 36 1
36 34 37 1 #Up
37 35 38 1
38 36 39 1
39 38 40 1
40 38 41 1 #Up
41 39 42 1
42 40 43 1
43 42 44 1
44 43 45 1
45 44 46 1
46 44 47 1
47 45 48 1
48 48 49 1
49 48 50 1
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