1.0
2011-09-21 00:07:23 UTC
2015-10-09 22:33:41 UTC
FDB022037
2-Hydroxydecanedioic acid
2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB]
2-hydroxy-Decandioate
2-hydroxy-Decandioic acid
2-Hydroxydecanedioate
2-Hydroxydecanedioic acid
2-Hydroxysebacate
2-Hydroxysebacic acid
a-Hydroxysebasate
a-Hydroxysebasic acid
alpha-Hydroxysebasate
alpha-Hydroxysebasic acid
C10H18O5
218.2469
218.115423686
2-hydroxydecanedioic acid
2-hydroxysebacic acid
103963-71-9
OC(CCCCCCCC(O)=O)C(O)=O
InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
LPIOYESQKJFWPQ-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
Alpha hydroxy acids and derivatives
Carbonyl compounds
Carboxylic acids
Dicarboxylic acids and derivatives
Hydrocarbon derivatives
Hydroxy fatty acids
Medium-chain fatty acids
Monosaccharides
Organic oxides
Secondary alcohols
Alcohol
Aliphatic acyclic compound
Alpha-hydroxy acid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Dicarboxylic acid or derivatives
Fatty acid
Fatty acyl
Hydrocarbon derivative
Hydroxy fatty acid
Medium-chain fatty acid
Medium-chain hydroxy acid
Monosaccharide
Organic oxide
Organic oxygen compound
Organooxygen compound
Secondary alcohol
Dicarboxylic acids
Solid
logp
0.87
logs
-1.95
solubility
2.42e+00 g/l
logp
1.4
pka_strongest_acidic
4.16
pka_strongest_basic
-3.8
iupac
2-hydroxydecanedioic acid
average_mass
218.2469
mono_mass
218.115423686
smiles
OC(CCCCCCCC(O)=O)C(O)=O
formula
C10H18O5
inchi
InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
inchikey
LPIOYESQKJFWPQ-UHFFFAOYSA-N
polar_surface_area
94.83
refractivity
52.64
polarizability
23.38
rotatable_bond_count
9
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::NmrTwoD
1308
Specdb::CMs
23586
Specdb::CMs
37523
Specdb::CMs
132763
Specdb::CMs
140497
Specdb::CMs
1061380
Specdb::CMs
1061382
Specdb::CMs
1061384
Specdb::CMs
1061386
Specdb::CMs
1061387
Specdb::CMs
1061389
Specdb::CMs
1061391
Specdb::CMs
1061393
Specdb::CMs
1061395
Specdb::CMs
1061397
Specdb::CMs
1061399
Specdb::CMs
1061401
Specdb::CMs
1061403
Specdb::NmrOneD
1364
Specdb::NmrOneD
143850
Specdb::NmrOneD
143851
Specdb::NmrOneD
143852
Specdb::NmrOneD
143853
Specdb::NmrOneD
143854
Specdb::NmrOneD
143855
Specdb::NmrOneD
143856
Specdb::NmrOneD
143857
Specdb::NmrOneD
143858
Specdb::NmrOneD
143859
Specdb::NmrOneD
143860
Specdb::NmrOneD
143861
Specdb::NmrOneD
143862
Specdb::NmrOneD
143863
Specdb::NmrOneD
143864
Specdb::NmrOneD
143865
Specdb::NmrOneD
143866
Specdb::NmrOneD
143867
Specdb::NmrOneD
143868
Specdb::NmrOneD
143869
Specdb::MsMs
58665
Specdb::MsMs
58666
Specdb::MsMs
58667
Specdb::MsMs
114651
Specdb::MsMs
114652
Specdb::MsMs
114653
Specdb::MsMs
2381213
Specdb::MsMs
2381214
Specdb::MsMs
2381215
Specdb::MsMs
2580672
Specdb::MsMs
2580673
Specdb::MsMs
2580674
HMDB00424
#<Reference:0x000055567556b2a8>
#<Reference:0x000055567556b0f0>
#<Reference:0x000055567556af38>
#<Reference:0x000055567556ad80>
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