1.0
2011-09-21 00:09:22 UTC
2015-07-21 06:57:01 UTC
FDB022162
Decanoylcarnitine
Acylcarnitine useful in the diagnosis of fatty acid oxidation disorders and differentiation between biochemical phenotypes of medium-chain acyl-CoA dehydrogenase (MCAD) deficiency deficiencyoxidation disorders.(PMID: 12385891) [HMDB]
Decanoyl-L-carnitine
Decanoylcarnitine
C17H33NO4
315.4482
315.240958549
3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate
(+-)-decanoylcarnitine
1492-27-9
CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
LZOSYCMHQXPBFU-UHFFFAOYSA-N
belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
Acyl carnitines
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Amines
Carbonyl compounds
Carboxylic acid esters
Carboxylic acid salts
Carboxylic acids
Dicarboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Organic salts
Organopnictogen compounds
Tetraalkylammonium salts
Acyl-carnitine
Aliphatic acyclic compound
Amine
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Carboxylic acid ester
Carboxylic acid salt
Dicarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organic salt
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Quaternary ammonium salt
Tetraalkylammonium salt
O-acylcarnitine
Solid
logp
-0.85
logs
-6.44
solubility
1.35e-04 g/l
logp
-0.63
pka_strongest_acidic
4.22
pka_strongest_basic
-7.1
iupac
3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate
average_mass
315.4482
mono_mass
315.240958549
smiles
CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
formula
C17H33NO4
inchi
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
inchikey
LZOSYCMHQXPBFU-UHFFFAOYSA-N
polar_surface_area
66.43
refractivity
109.47
polarizability
37.57
rotatable_bond_count
14
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
1401
Specdb::NmrOneD
1456
Specdb::MsMs
888
Specdb::MsMs
889
Specdb::MsMs
890
HMDB00651
#<Reference:0x0000555675aea990>
#<Reference:0x0000555675aea350>
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