1.0
2011-09-21 01:23:27 UTC
2015-07-21 06:59:06 UTC
FDB027375
9-HETE
9-HETE, which is a product of free radical-mediated arachidonic acid oxidation, is significantly elevated in patients with angiographically defined CAD. (PMID: 17145556). 9-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid. [HMDB]
()-9-HETE
()-9-Hydroxy-(5Z,7E,11Z,14Z)-eicosatetraenoate
()-9-Hydroxy-(5Z,7E,11Z,14Z)-eicosatetraenoic acid
9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoate
9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
C20H32O3
320.4663
320.23514489
(5E)-9-hydroxyicosa-5,7,11,14-tetraenoic acid
(5E)-9-hydroxyicosa-5,7,11,14-tetraenoic acid
CCCCCC=CCC=CCC(O)C=C\C=C\CCCC(O)=O
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6?,11-9+,13-10?,17-14?
KATOYYZUTNAWSA-YILCLGHKSA-N
Solid
logp
5.88
logs
-5.29
solubility
1.63e-03 g/l
logp
5.36
pka_strongest_acidic
4.49
pka_strongest_basic
-1.6
iupac
(5E)-9-hydroxyicosa-5,7,11,14-tetraenoic acid
average_mass
320.4663
mono_mass
320.23514489
smiles
CCCCCC=CCC=CCC(O)C=C\C=C\CCCC(O)=O
formula
C20H32O3
inchi
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6?,11-9+,13-10?,17-14?
inchikey
KATOYYZUTNAWSA-YILCLGHKSA-N
polar_surface_area
57.53
refractivity
101.47
polarizability
39.29
rotatable_bond_count
14
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
HMDB10222
#<Reference:0x0000555675d928a0>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823