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
320.47
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
All DBs
KCF data
Show
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
» Japanese version
COMPOUND: C14822
Help
Entry
C14822 Compound
Name
12(R)-HETE;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.47
Structure
Mol file
KCF file
DB search
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
map04925
Aldosterone synthesis and secretion
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14822 12(R)-HETE
BRITE hierarchy
Other DBs
PubChem:
17395820
ChEBI:
34144
LIPIDMAPS:
LMFA03060008
KNApSAcK:
C00000424
NIKKAJI:
J260.110I
LinkDB
All DBs
KCF data
Show
ATOM 23
1 C2b C 27.6905 -22.9644
2 C2b C 26.5383 -22.2729
3 C2b C 25.1095 -22.2729
4 C1b C 23.9110 -22.9644
5 C2b C 22.7588 -22.2729
6 C2b C 21.3761 -22.2729
7 C1b C 20.1777 -22.9644
8 C1b C 18.9793 -22.2729
9 C1b C 17.7810 -22.9644
10 C6a C 16.5825 -22.2729
11 O6a O 15.3841 -22.9644
12 O6a O 16.5825 -20.8901
13 C2b C 28.9350 -22.2729
14 C1c C 30.1335 -22.9644
15 C1b C 31.2856 -22.2729
16 C2b C 32.4841 -22.9644
17 C2b C 33.8669 -22.9644
18 C1b C 35.0652 -22.2729
19 C1b C 36.2635 -22.9644
20 C1b C 37.4620 -22.2729
21 O1a O 30.0874 -24.7617
22 C1b C 38.6603 -22.9644
23 C1a C 39.8586 -22.2729
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 #Up
21 20 22 1
22 22 23 1
» Japanese version
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