COMPOUND: C14777
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Entry
C14777 Compound
Name
12(S)-HETE;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Mol file
KCF file
DB search
Reaction
R13043
Pathway
map00590
Arachidonic acid metabolism
map04913
Ovarian steroidogenesis
map04925
Aldosterone synthesis and secretion
Enzyme
1.11.1.12
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14777 12(S)-HETE
BRITE hierarchy
Other DBs
CAS:
54397-83-0
PubChem:
17395775
ChEBI:
34146
LIPIDMAPS:
LMFA03060007
NIKKAJI:
J356.353G
LinkDB
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KCF data
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ATOM 23
1 C2b C 22.1662 -16.1930
2 C2b C 20.9990 -15.4925
3 C2b C 19.5515 -15.4925
4 C1b C 18.3374 -16.1930
5 C2b C 17.1702 -15.4925
6 C2b C 15.7694 -15.4925
7 C1b C 14.5554 -16.1930
8 C1b C 13.3414 -15.4925
9 C1b C 12.1274 -16.1930
10 C6a C 10.9133 -15.4925
11 O6a O 9.6993 -16.1930
12 O6a O 10.9133 -14.0917
13 C2b C 23.4269 -15.4925
14 C1c C 24.6410 -16.1930
15 C1b C 25.8082 -15.4925
16 C2b C 27.0223 -16.1930
17 C2b C 28.4231 -16.1930
18 C1b C 29.6371 -15.4925
19 C1b C 30.8510 -16.1930
20 C1b C 32.0651 -15.4925
21 O1a O 24.5943 -17.5938
22 C1b C 33.2791 -16.1930
23 C1a C 34.4930 -15.4925
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 1 13 2
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 14 21 1 #Down
21 20 22 1
22 22 23 1
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