1.0
2011-09-21 01:31:11 UTC
2015-07-21 06:59:16 UTC
FDB027868
(R)-3-Hydroxyhexanoic acid
==(R)==-3-Hydroxyhexanoic acid is a fatty acid formed by the action of fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between 3-Oxohexanoic acid and 2 enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. [HMDB]
C6H12O3
132.1577
132.07864425
(3R)-3-hydroxyhexanoic acid
3R-hydroxy-hexanoic acid
77877-35-1
[H][C@@](O)(CCC)CC(O)=O
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
HPMGFDVTYHWBAG-RXMQYKEDSA-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
Hydroxy fatty acids
Solid
logp
0.57
logs
0.00
solubility
1.33e+02 g/l
melting_point
Mp 41 - 41.6
logp
0.58
pka_strongest_acidic
4.67
pka_strongest_basic
-2.8
iupac
(3R)-3-hydroxyhexanoic acid
average_mass
132.1577
mono_mass
132.07864425
smiles
[H][C@@](O)(CCC)CC(O)=O
formula
C6H12O3
inchi
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
inchikey
HPMGFDVTYHWBAG-RXMQYKEDSA-N
polar_surface_area
57.53
refractivity
32.59
polarizability
13.87
rotatable_bond_count
4
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Fatty Acid Biosynthesis
SMP00456
Specdb::MsIr
2468
Specdb::MsIr
2469
Specdb::MsIr
2470
Specdb::CMs
3370
Specdb::CMs
39526
Specdb::CMs
150584
Specdb::MsMs
182901
Specdb::MsMs
182902
Specdb::MsMs
182903
Specdb::MsMs
183249
Specdb::MsMs
183250
Specdb::MsMs
183251
Specdb::MsMs
2354637
Specdb::MsMs
2354638
Specdb::MsMs
2354639
Specdb::MsMs
2607882
Specdb::MsMs
2607883
Specdb::MsMs
2607884
HMDB10718
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