COMPOUND: C21394
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Entry
C21394 Compound
Name
C27-Mycolipanoyl-[acp];
(2S,4S,6S)-2,4,6-Trimethyltetracosanoyl-[acp]
Formula
C27H53OSR
Structure
Mol file
KCF file
DB search
Reaction
R11451
Enzyme
2.3.1.252
Other DBs
PubChem:
328082937
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KCF data
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ATOM 30
1 C1a C 3.3752 -16.5124
2 C1b C 4.5870 -15.8128
3 C1b C 5.7988 -16.5124
4 C1b C 7.0106 -15.8128
5 C1b C 8.2225 -16.5124
6 C1b C 9.4343 -15.8128
7 C1b C 10.6462 -16.5124
8 C1b C 11.8580 -15.8128
9 C1b C 13.0697 -16.5124
10 C1b C 14.2816 -15.8128
11 C1b C 15.4934 -16.5124
12 C1b C 16.7052 -15.8128
13 C1b C 17.9171 -16.5124
14 C1b C 19.1289 -15.8128
15 C1b C 20.3407 -16.5124
16 C1b C 21.5526 -15.8128
17 C1b C 22.7644 -16.5124
18 C1b C 23.9762 -15.8128
19 C1c C 25.1881 -16.5124
20 C1b C 26.3999 -15.8128
21 C1c C 27.6118 -16.5124
22 C1b C 28.8236 -15.8128
23 C1c C 30.0353 -16.5124
24 C5a C 31.2472 -15.8128
25 C1a C 30.0353 -17.9115
26 C1a C 27.6118 -17.9115
27 C1a C 25.1881 -17.9117
28 O5a O 31.2472 -14.4135
29 S2a S 32.4770 -16.5230
30 R R 33.8763 -16.5230
BOND 29
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 23 25 1 #Up
25 21 26 1 #Up
26 19 27 1 #Up
27 24 28 2
28 24 29 1
29 29 30 1
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