1.0
2011-09-21 01:31:13 UTC
2015-07-21 06:59:16 UTC
FDB027870
3-Oxooctanoic acid
3-Oxo-Octanoic acid is fatty acid formed by the action of 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 malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II. [HMDB]
3-keto-N-Caprylate
3-keto-N-Caprylic acid
3-Ketooctanoate
3-Ketooctanoic acid
3-Oxo-Octanoate
3-Oxo-Octanoic acid
3-Oxooctanoate
3-Oxooctanoic acid
b-Ketocaprylate
b-Ketocaprylic acid
b-Ketooctanoate
b-Ketooctanoic acid
b-Oxocaprylate
b-Oxocaprylic acid
b-Oxooctanoate
b-Oxooctanoic acid
beta-Ketocaprylate
beta-Ketocaprylic acid
beta-Ketooctanoate
beta-Ketooctanoic acid
beta-Oxocaprylate
beta-Oxocaprylic acid
beta-Oxooctanoate
beta-Oxooctanoic acid
β-ketocaprylate
β-ketocaprylic acid
β-ketooctanoate
β-ketooctanoic acid
β-oxocaprylate
β-oxocaprylic acid
β-oxooctanoate
β-oxooctanoic acid
C8H14O3
158.195
158.094294314
3-oxooctanoic acid
3-oxooctanoic acid
13283-91-5
CCCCCC(=O)CC(O)=O
InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
Medium-chain keto acids and derivatives
Organic compounds
Organic acids and derivatives
Keto acids and derivatives
Medium-chain keto acids and derivatives
Aliphatic acyclic compounds
1,3-dicarbonyl compounds
Beta-hydroxy ketones
Beta-keto acids and derivatives
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
1,3-dicarbonyl compound
Aliphatic acyclic compound
Beta-hydroxy ketone
Beta-keto acid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Ketone
Medium-chain keto acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
3-oxo monocarboxylic acid
Oxo fatty acids
oxo fatty acid
Solid
logp
1.40
logs
-1.65
solubility
3.56e+00 g/l
logp
2.03
pka_strongest_acidic
4.58
pka_strongest_basic
-7.5
iupac
3-oxooctanoic acid
average_mass
158.195
mono_mass
158.094294314
smiles
CCCCCC(=O)CC(O)=O
formula
C8H14O3
inchi
InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
polar_surface_area
54.37
refractivity
40.97
polarizability
17.02
rotatable_bond_count
6
acceptor_count
3
donor_count
1
physiological_charge
-1
formal_charge
0
Fatty Acid Biosynthesis
SMP00456
Specdb::CMs
3162
Specdb::CMs
39529
Specdb::CMs
149111
Specdb::MsIr
2477
Specdb::MsIr
2478
Specdb::MsIr
2479
Specdb::MsMs
182850
Specdb::MsMs
182851
Specdb::MsMs
182852
Specdb::MsMs
183198
Specdb::MsMs
183199
Specdb::MsMs
183200
Specdb::MsMs
2729797
Specdb::MsMs
2729798
Specdb::MsMs
2729799
Specdb::MsMs
2975639
Specdb::MsMs
2975640
Specdb::MsMs
2975641
Specdb::NmrOneD
92572
Specdb::NmrOneD
92573
Specdb::NmrOneD
92574
Specdb::NmrOneD
92575
Specdb::NmrOneD
92576
Specdb::NmrOneD
92577
Specdb::NmrOneD
92578
Specdb::NmrOneD
92579
Specdb::NmrOneD
92580
Specdb::NmrOneD
92581
Specdb::NmrOneD
92582
Specdb::NmrOneD
92583
Specdb::NmrOneD
92584
Specdb::NmrOneD
92585
Specdb::NmrOneD
92586
Specdb::NmrOneD
92587
Specdb::NmrOneD
92588
Specdb::NmrOneD
92589
Specdb::NmrOneD
92590
Specdb::NmrOneD
92591
HMDB10721
OOA
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