1.0
2011-09-21 01:23:19 UTC
2015-07-21 06:59:05 UTC
FDB027365
15-KETE
15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE. [HMDB]
(5Z,8Z,11Z,13e)-15-Ketoeicosa-5,8,11,13-tetraenoate
(5Z,8Z,11Z,13e)-15-Ketoeicosa-5,8,11,13-tetraenoic acid
(5Z,8Z,11Z,13e)-15-oxo-5,8,11,13-Eicosatetraenoate
(5Z,8Z,11Z,13e)-15-oxo-5,8,11,13-Eicosatetraenoic acid
(5Z,8Z,11Z,13e)-15-Oxoeicosa-5,8,11,13-tetraenoate
(5Z,8Z,11Z,13e)-15-Oxoeicosa-5,8,11,13-tetraenoic acid
(5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoate
(5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid
15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate
15-Oxo-5,8,11-cis-13-trans-eicosatetraenoic acid
15-Oxo-5,8,11-cis-13-trans-icosatetraenoate
15-Oxo-5,8,11-cis-13-trans-icosatetraenoic acid
15-oxo-5Z,8Z,11Z,13E-eicosatetraenoate
15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid
15-Oxo-ETE
15-OxoETE
C20H30O3
318.4504
318.219494826
15-oxoicosa-5,8,11,13-tetraenoic acid
15-oxoicosa-5,8,11,13-tetraenoic acid
81416-72-0
CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)
YGJTUEISKATQSM-UHFFFAOYSA-N
belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
Long-chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Acryloyl compounds
Carboxylic acids
Enones
Hydrocarbon derivatives
Ketones
Monocarboxylic acids and derivatives
Organic oxides
Unsaturated fatty acids
Acryloyl-group
Aliphatic acyclic compound
Alpha,beta-unsaturated ketone
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Enone
Hydrocarbon derivative
Ketone
Long-chain fatty acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Unsaturated fatty acid
Solid
logp
5.72
logs
-5.55
solubility
8.91e-04 g/l
logp
5.77
pka_strongest_acidic
4.82
pka_strongest_basic
-4.6
iupac
15-oxoicosa-5,8,11,13-tetraenoic acid
average_mass
318.4504
mono_mass
318.219494826
smiles
CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
formula
C20H30O3
inchi
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)
inchikey
YGJTUEISKATQSM-UHFFFAOYSA-N
polar_surface_area
54.37
refractivity
100.57
polarizability
37.6
rotatable_bond_count
14
acceptor_count
3
donor_count
1
physiological_charge
-1
formal_charge
0
HMDB10210
15559
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