COMPOUND: C21393
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Entry
C21393 Compound
Name
C32-Mycocerosyl-[acp];
(2R,4R,6R,8R)-2,4,6,8-Tetramethyloctacosanoyl-[acp]
Formula
C32H63OSR
Structure
Mol file
KCF file
DB search
Reaction
R11450
Enzyme
2.3.1.111
Other DBs
PubChem:
328082936
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KCF data
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ATOM 35
1 C1a C 1.7480 -16.5137
2 C1b C 2.9599 -15.8140
3 C1b C 4.1719 -16.5137
4 C1b C 5.3838 -15.8140
5 C1b C 6.5957 -16.5137
6 C1b C 7.8076 -15.8140
7 C1b C 9.0195 -16.5137
8 C1b C 10.2314 -15.8140
9 C1b C 11.4434 -16.5137
10 C1b C 12.6553 -15.8140
11 C1b C 13.8673 -16.5137
12 C1b C 15.0792 -15.8140
13 C1b C 16.2910 -16.5137
14 C1b C 17.5030 -15.8140
15 C1b C 18.7149 -16.5137
16 C1b C 19.9268 -15.8140
17 C1b C 21.1388 -16.5137
18 C1b C 22.3507 -15.8140
19 C1b C 23.5626 -16.5137
20 C1b C 24.7745 -15.8140
21 C1c C 25.9864 -16.5137
22 C1b C 27.1983 -15.8140
23 C1c C 28.4103 -16.5137
24 C1b C 29.6222 -15.8140
25 C1c C 30.8342 -16.5137
26 C1b C 32.0461 -15.8140
27 C1c C 33.2579 -16.5137
28 C5a C 34.4699 -15.8140
29 C1a C 33.2579 -17.9129
30 C1a C 30.8342 -17.9129
31 C1a C 28.4103 -17.9131
32 C1a C 25.9864 -17.9128
33 O5a O 34.4699 -14.4146
34 S2a S 35.6998 -16.5243
35 R R 37.0992 -16.5243
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 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 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 27 29 1 #Down
29 25 30 1 #Down
30 23 31 1 #Down
31 21 32 1 #Down
32 28 33 2
33 28 34 1
34 34 35 1
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