COMPOUND: C20855
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Entry
C20855 Compound
Name
22-Hydroxydocosahexaenoate;
(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxydocosahexaenoic acid
Formula
C22H32O3
Exact mass
344.2351
Mol weight
344.4877
Structure
Mol file
KCF file
DB search
Reaction
R10795
Enzyme
1.14.14.79
Other DBs
PubChem:
254741321
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KCF data
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ATOM 25
1 C2b C 14.8057 -17.1899
2 C1b C 16.0230 -16.4874
3 C2b C 13.4088 -17.1899
4 C2b C 17.2326 -17.1899
5 C1b C 12.1992 -16.4874
6 C2b C 18.6294 -17.1899
7 C2b C 10.9975 -17.1899
8 C1b C 19.8390 -16.4874
9 C2b C 9.5928 -17.1899
10 C2b C 21.0487 -17.1899
11 C1b C 8.3911 -16.4874
12 C2b C 22.4454 -17.1899
13 C1b C 7.1658 -17.1899
14 C1b C 23.6707 -16.4874
15 C6a C 5.9562 -16.4874
16 C2b C 24.8880 -17.1899
17 O6a O 4.7466 -17.1899
18 O6a O 5.9562 -15.0907
19 C2b C 26.2850 -17.1899
20 C1b C 27.5023 -16.4874
21 C2b C 28.7039 -17.1899
22 C2b C 30.1009 -17.1899
23 C1b C 31.3182 -16.4874
24 C1b C 32.5279 -17.1899
25 O1a O 33.7452 -16.4910
BOND 24
1 1 2 1
2 1 3 2
3 2 4 1
4 3 5 1
5 4 6 2
6 5 7 1
7 6 8 1
8 7 9 2
9 8 10 1
10 9 11 1
11 10 12 2
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 2
19 19 20 1
20 20 21 1
21 21 22 2
22 22 23 1
23 23 24 1
24 24 25 1
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