1.0
2011-09-21 00:18:24 UTC
2015-07-21 06:57:20 UTC
FDB022717
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid is an organic acid present in human biofluids. Its presence in urine has been associated with lactic acidosis, which occurs in Succinic Acidemia (OMIM 600335), a syndrome of organic acidemia associated with congenital lactic acidosis and decreased NADH-cytochrome c reductase activity. 2-Hydroxyvaleric acid presence associated with lactic acidosis has also been found in Propionyl-CoA carboxylase deficiency (OMIM 253260), or Multiple carboxylase deficiency (MCD), an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. (PMID: 9389332, 1790187, 3378323, 3383430, 7313494) [HMDB]
(+-)-2-Hydroxypentanoate
(+-)-2-Hydroxypentanoic acid
(S)-2-Hydroxyvaleric acid
2-hydroxy-pentanoate
2-hydroxy-pentanoic acid
2-Hydroxypentanoate
2-Hydroxypentanoic acid
2-Hydroxyvalerate
a-Hydroxy-N-valerate
a-Hydroxy-N-valeric acid
a-Hydroxyvalerate
a-Hydroxyvaleric acid
alpha-Hydroxy-N-valerate
alpha-Hydroxy-N-valeric acid
alpha-Hydroxyvalerate
alpha-Hydroxyvaleric acid
DL-2-hydroxy valeric acid
α-hydroxy-N-valerate
α-hydroxy-N-valeric acid
α-hydroxyvalerate
α-hydroxyvaleric acid
C5H10O3
118.1311
118.062994186
2-hydroxypentanoic acid
pentanoic acid, 2-hydroxy-
617-31-2
CCCC(O)C(O)=O
InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
JRHWHSJDIILJAT-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
Alpha hydroxy acids and derivatives
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Methyl-branched fatty acids
Monocarboxylic acids and derivatives
Monosaccharides
Organic oxides
Secondary alcohols
Alcohol
Aliphatic acyclic compound
Alpha-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
Monosaccharide
Organic oxide
Organic oxygen compound
Organooxygen compound
Secondary alcohol
2-hydroxy monocarboxylic acid
Hydroxy fatty acids
Solid
logp
0.26
logs
0.24
solubility
2.04e+02 g/l
logp
0.5
pka_strongest_acidic
4.14
pka_strongest_basic
-3.8
iupac
2-hydroxypentanoic acid
average_mass
118.1311
mono_mass
118.062994186
smiles
CCCC(O)C(O)=O
formula
C5H10O3
inchi
InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey
JRHWHSJDIILJAT-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
27.96
polarizability
11.83
rotatable_bond_count
3
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::MsIr
1393
Specdb::MsIr
1394
Specdb::MsIr
1395
Specdb::CMs
3421
Specdb::CMs
32379
Specdb::CMs
38152
Specdb::CMs
99713
Specdb::CMs
171069
Specdb::MsMs
57153
Specdb::MsMs
57154
Specdb::MsMs
57155
Specdb::MsMs
112737
Specdb::MsMs
112738
Specdb::MsMs
112739
Specdb::MsMs
439242
Specdb::MsMs
2323435
Specdb::MsMs
2323436
Specdb::MsMs
2323437
Specdb::MsMs
2615232
Specdb::MsMs
2615233
Specdb::MsMs
2615234
Specdb::NmrOneD
271358
Specdb::NmrOneD
271359
Specdb::NmrOneD
271360
Specdb::NmrOneD
271361
Specdb::NmrOneD
271362
Specdb::NmrOneD
271363
Specdb::NmrOneD
271364
Specdb::NmrOneD
271365
Specdb::NmrOneD
271366
Specdb::NmrOneD
271367
Specdb::NmrOneD
271368
Specdb::NmrOneD
271369
Specdb::NmrOneD
271370
Specdb::NmrOneD
271371
Specdb::NmrOneD
271372
Specdb::NmrOneD
271373
Specdb::NmrOneD
271374
Specdb::NmrOneD
271375
Specdb::NmrOneD
271376
Specdb::NmrOneD
271377
HMDB01863
#<Reference:0x0000555675254ad8>
#<Reference:0x00005556752548a8>
#<Reference:0x0000555675254628>
#<Reference:0x0000555675254420>
#<Reference:0x000055567524bfa0>
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