1.0
2011-09-21 01:31:19 UTC
2015-07-21 06:59:16 UTC
FDB027877
3-Oxotetradecanoic acid
3-Oxo-tetradecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-tetradecanoic acid is converted from Malonic acid via three enzymes; 3-oxoacyl-[acyl-carrier-protein] synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier-protein synthase II. (EC:2.3.1.41, E.C: 2.3.1.85, 2.3.1.179). In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. [HMDB]
3-Oxo-tetradecanoate
3-Oxo-tetradecanoic acid
3-Oxomyristate
3-Oxomyristic acid
3-Oxotetradecanoate
3-Oxotetradecanoic acid
C14H26O3
242.3544
242.188194698
3-oxotetradecanoic acid
3-oxotetradecanoic acid
CCCCCCCCCCCC(=O)CC(O)=O
InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
XLKOZYOVXNPWGT-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
1,3-dicarbonyl compounds
Beta-hydroxy ketones
Beta-keto acids and derivatives
Carboxylic acids
Hydrocarbon derivatives
Keto fatty acids
Monocarboxylic acids and derivatives
Organic oxides
1,3-dicarbonyl compound
Aliphatic acyclic compound
Beta-hydroxy ketone
Beta-keto acid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Keto acid
Keto fatty acid
Ketone
Long-chain fatty acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
3-oxo monocarboxylic acid
Oxo fatty acids
long-chain fatty acid
oxo fatty acid
Solid
logp
4.58
logs
-4.71
solubility
4.71e-03 g/l
logp
4.7
pka_strongest_acidic
4.44
pka_strongest_basic
-7.5
iupac
3-oxotetradecanoic acid
average_mass
242.3544
mono_mass
242.188194698
smiles
CCCCCCCCCCCC(=O)CC(O)=O
formula
C14H26O3
inchi
InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey
XLKOZYOVXNPWGT-UHFFFAOYSA-N
polar_surface_area
54.37
refractivity
68.57
polarizability
29.64
rotatable_bond_count
12
acceptor_count
3
donor_count
1
physiological_charge
-1
formal_charge
0
Fatty Acid Biosynthesis
SMP00456
Specdb::CMs
2702
Specdb::CMs
39537
Specdb::CMs
175119
Specdb::MsMs
182709
Specdb::MsMs
182710
Specdb::MsMs
182711
Specdb::MsMs
183057
Specdb::MsMs
183058
Specdb::MsMs
183059
Specdb::MsMs
3041599
Specdb::MsMs
3041600
Specdb::MsMs
3041601
Specdb::MsMs
3102647
Specdb::MsMs
3102648
Specdb::MsMs
3102649
HMDB10730
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
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial
Q9NWU1
OXSM
Fatty acid synthase
P49327
FASN