1.0
2011-09-21 00:06:50 UTC
2015-10-09 22:29:36 UTC
FDB022005
3-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid is a medium-chain fatty acid associated with fatty acid metabolic disorders (PMID 11948802). Deficiency of medium-chain acyl-CoA dehydrogenase is characterized by intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels. (OMIM 201450) [HMDB]
(RS)-3-Hydroxylaurate
(RS)-3-Hydroxylauric acid
11:0(3-OH)
3-hydroxy-dodecanoate
3-hydroxy-dodecanoic acid
3-Hydroxydodecanoate
3-Hydroxydodecanoic acid
3-Hydroxylaurate
3-Hydroxylauric acid
3-OH Dodecanoate
3-OH Dodecanoic acid
3-OH Laate
3-OH Laic acid
3-OH Lauric acid
b-Hydroxydodecanoate
b-Hydroxydodecanoic acid
b-Hydroxylaate
b-Hydroxylaic acid
b-Hydroxylaurate
b-Hydroxylauric acid
b-OH Dodecanoate
b-OH Dodecanoic acid
b-OH Laate
b-OH Laic acid
beta-hydroxydodecanoate
beta-hydroxydodecanoic acid
beta-Hydroxylaate
beta-Hydroxylaic acid
beta-hydroxylaurate
beta-hydroxylauric acid
beta-OH Dodecanoate
beta-OH Dodecanoic acid
beta-OH Laate
beta-OH Laic acid
beta-OH Lauric acid
DL-b-Hydroxydodecanoate
DL-b-Hydroxydodecanoic acid
DL-beta-Hydroxydodecanoate
DL-beta-Hydroxydodecanoic acid
β-hydroxydodecanoate
β-hydroxydodecanoic acid
β-hydroxylaate
β-hydroxylaic acid
β-OH dodecanoate
β-OH dodecanoic acid
β-OH laate
β-OH laic acid
C12H24O3
216.3172
216.172544634
3-hydroxydodecanoic acid
3-hydroxydodecanoic acid
1883-13-2
CCCCCCCCCC(O)CC(O)=O
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
MUCMKTPAZLSKTL-UHFFFAOYSA-N
belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
Medium-chain hydroxy acids and derivatives
Organic compounds
Organic acids and derivatives
Hydroxy acids and derivatives
Medium-chain hydroxy acids and derivatives
Aliphatic acyclic compounds
Beta hydroxy acids and derivatives
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Hydroxy fatty acids
Medium-chain fatty acids
Monocarboxylic acids and derivatives
Organic oxides
Secondary alcohols
Alcohol
Aliphatic acyclic compound
Beta-hydroxy acid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Fatty acid
Fatty acyl
Hydrocarbon derivative
Hydroxy fatty acid
Medium-chain fatty acid
Medium-chain hydroxy acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Secondary alcohol
3-hydroxy fatty acid
Hydroxy fatty acids
medium-chain fatty acid
Solid
logp
3.63
logs
-2.80
solubility
3.45e-01 g/l
logp
3.25
pka_strongest_acidic
4.67
pka_strongest_basic
-2.8
iupac
3-hydroxydodecanoic acid
average_mass
216.3172
mono_mass
216.172544634
smiles
CCCCCCCCCC(O)CC(O)=O
formula
C12H24O3
inchi
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey
MUCMKTPAZLSKTL-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
60.2
polarizability
26.59
rotatable_bond_count
10
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::NmrTwoD
1293
Specdb::NmrOneD
1351
Specdb::CMs
1496
Specdb::CMs
19545
Specdb::CMs
31137
Specdb::CMs
37488
Specdb::MsMs
594
Specdb::MsMs
595
Specdb::MsMs
596
Specdb::MsMs
11642
Specdb::MsMs
11643
Specdb::MsMs
11644
Specdb::MsMs
18314
Specdb::MsMs
18315
Specdb::MsMs
18316
HMDB00387
#<Reference:0x00005556750974c0>
#<Reference:0x0000555675096f20>
#<Reference:0x0000555675096ac0>
Almond
Type 1
specific
Prunus dulcis
3755
0.0
0.0
0.0
mg/100 g
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
Cheddar Cheese
Type 2
Cheddar Cheese
0.0
0.0
0.0
mg/100 g
Cheese
Type 2
specific
0.0
0.0
0.0
mg/100 g
Chicken
Type 1
specific
Gallus gallus
9031
0.0
0.0
0.0
mg/100 g
Coconut oil
Type 2
0.0
0.0
0.0
mg/100 g
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Cottage cheese
Type 2
0.0
0.0
0.0
mg/100 g
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
Haddock
Type 1
specific
Melanogrammus aeglefinus
8056
0.0
0.0
0.0
mg/100 g
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mozzarella cheese
Type 2
0.0
0.0
0.0
mg/100 g
Mule deer
Type 1
specific
Odocoileus
9871
Norway haddock
Type 1
specific
Sebastes viviparus
394708
0.0
0.0
0.0
mg/100 g
Olive
Type 1
specific
Olea europaea
4146
0.0
0.0
0.0
mg/100 g
Ostrich
Type 1
specific
Struthio camelus
8801
Parmesan cheese
Type 2
0.0
0.0
0.0
mg/100 g
Pheasant
Type 1
specific
Phasianus colchicus
9054
Pollock
Type 1
specific
Pollachius
8059
0.0
0.0
0.0
mg/100 g
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rice
Type 1
specific
Oryza sativa
4530
0.0
0.0
0.0
mg/100 g
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Rye bread
Type 2
specific
0.0
0.0
0.0
mg/100 g
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Swiss cheese
Type 2
0.0
0.0
0.0
mg/100 g
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
White bread
Type 1
0.0
0.0
0.0
mg/100 g
Wild boar
Type 1
specific
Sus scrofa
9823