COMPOUND: C20702
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Entry
C20702 Compound
Name
(8E,10S)-10-Hydroperoxyoctadeca-8-enoate;
(8E,10S)-10-Hydroperoxy-8-octadecenoate
Formula
C18H34O4
Exact mass
314.2457
Mol weight
314.4602
Structure
Mol file
KCF file
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Reaction
R10576
Enzyme
1.13.11.77
Other DBs
PubChem:
254741171
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KCF data
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ATOM 22
1 O6a O 8.3473 -16.1970
2 C6a C 9.5392 -15.4958
3 C1b C 10.8012 -16.1970
4 C1b C 11.9931 -15.4958
5 C1b C 13.1850 -16.1970
6 C1b C 14.4471 -15.4958
7 C1b C 15.6390 -16.1970
8 C1b C 16.8309 -15.4958
9 C2b C 18.0929 -16.1970
10 C2b C 19.2849 -15.4958
11 C1c C 20.4768 -16.1970
12 C1b C 21.7388 -15.4958
13 C1b C 22.9307 -16.1970
14 C1b C 24.1226 -15.4958
15 C1b C 25.3146 -16.1970
16 C1b C 26.5766 -15.4958
17 C1b C 27.7685 -16.1970
18 C1b C 28.9604 -15.4958
19 O6a O 9.5392 -14.0936
20 O2a O 20.4768 -17.5992
21 O1a O 21.6687 -18.3003
22 C1a C 30.1819 -16.1880
BOND 21
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 2
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 2 19 2
19 11 20 1 #Down
20 20 21 1
21 18 22 1
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