1.0
2011-09-21 00:08:30 UTC
2015-07-21 06:56:58 UTC
FDB022099
3-Hydroxyvaleric acid
3-Hydroxyvaleric acid may be products of the condensation of propionyl-CoA with acetyl-CoA catalyzed by 3-oxoacyl-CoA thiolases. An increase amount of 3-hydroxyvaleric acid can be found in methylmalonic acidemia and propionic acidemia. (PMID: 630060) [HMDB]
3-Hydroxy-n-valerate
3-Hydroxy-n-valeric acid
3-hydroxy-Valerate
3-hydroxy-Valeric acid
3-Hydroxypentanoate
3-Hydroxypentanoic acid
3-Hydroxyvalerate
3-Hydroxyvaleric acid
b-Hydroxy-n-valerate
b-Hydroxy-n-valeric acid
b-Hydroxyvalerate
b-Hydroxyvaleric acid
beta-Hydroxy-n-valerate
beta-Hydroxy-n-valeric acid
beta-Hydroxyvalerate
beta-Hydroxyvaleric acid
C5H10O3
118.1311
118.062994186
3-hydroxypentanoic acid
β-hydroxyvaleric acid
10237-77-1
CCC(O)CC(O)=O
InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
REKYPYSUBKSCAT-UHFFFAOYSA-N
belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
Hydroxy fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Beta hydroxy acids and derivatives
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Methyl-branched fatty acids
Monocarboxylic acids and derivatives
Organic oxides
Secondary alcohols
Short-chain hydroxy acids and derivatives
Alcohol
Aliphatic acyclic compound
Beta-hydroxy acid
Branched fatty acid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Hydroxy acid
Hydroxy fatty acid
Methyl-branched fatty acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Secondary alcohol
Short-chain hydroxy acid
Hydroxy fatty acids
Solid
logp
0.04
logs
0.50
solubility
3.71e+02 g/l
logp
0.14
pka_strongest_acidic
4.56
pka_strongest_basic
-2.8
iupac
3-hydroxypentanoic acid
average_mass
118.1311
mono_mass
118.062994186
smiles
CCC(O)CC(O)=O
formula
C5H10O3
inchi
InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey
REKYPYSUBKSCAT-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
27.99
polarizability
11.95
rotatable_bond_count
3
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::MsIr
605
Specdb::MsIr
606
Specdb::MsIr
607
Specdb::CMs
24419
Specdb::CMs
37601
Specdb::CMs
147857
Specdb::CMs
1065128
Specdb::CMs
1065130
Specdb::CMs
1065131
Specdb::CMs
1065133
Specdb::CMs
1065135
Specdb::MsMs
107904
Specdb::MsMs
107905
Specdb::MsMs
107906
Specdb::MsMs
174999
Specdb::MsMs
175000
Specdb::MsMs
175001
Specdb::MsMs
2233717
Specdb::MsMs
2235246
Specdb::MsMs
3042613
Specdb::MsMs
3042614
Specdb::MsMs
3042615
Specdb::MsMs
3097144
Specdb::MsMs
3097145
Specdb::MsMs
3097146
HMDB00531
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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