COMPOUND: C14776
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Entry
C14776 Compound
Name
8(S)-HETE;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyeicosa-5,9,11,14-tetraenoic acid;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyicosa-5,9,11,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Mol file
KCF file
DB search
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
map03320
PPAR signaling pathway
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14776 8(S)-HETE
BRITE hierarchy
Other DBs
CAS:
98462-03-4
PubChem:
17395774
ChEBI:
34486
LIPIDMAPS:
LMFA03060006
NIKKAJI:
J855.517F
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KCF data
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ATOM 23
1 C1c C 19.5315 -16.5055
2 C2b C 20.9282 -17.2055
3 C1b C 18.3172 -17.2073
4 C2b C 22.1423 -16.5073
5 C2b C 17.1101 -16.5055
6 C2b C 23.3566 -17.2055
7 C2b C 15.7065 -16.5055
8 C2b C 24.7533 -17.2055
9 C1b C 14.5062 -17.2073
10 C1b C 25.9673 -16.3673
11 C1b C 13.2850 -16.5055
12 C2b C 27.1745 -17.1355
13 C1b C 12.0707 -17.2073
14 C2b C 28.5783 -17.1355
15 C6a C 10.8636 -16.5055
16 C1b C 29.7924 -16.2973
17 O6a O 9.6495 -17.2073
18 O6a O 10.8636 -15.1086
19 C1b C 30.9996 -17.0655
20 C1b C 32.2139 -16.2973
21 C1b C 33.4210 -17.0655
22 C1a C 34.6353 -16.2973
23 O1a O 19.1724 -15.0264
BOND 22
1 1 2 1
2 1 3 1
3 2 4 2
4 3 5 1
5 4 6 1
6 5 7 2
7 6 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 2
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 1 23 1 #Down
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