1.0 2011-09-21 00:21:07 UTC 2015-07-21 06:57:24 UTC FDB022885 Solerol Solerol is a volatile component identified in extracts of grape wines and numerous fruits, with aroma being among the most important factors in determining wine character and quality. (PMID: 11052736). Solerol (4,5-dihydroxyhexanoic acid lactone) also appears to be a marker for Succinic semialdehyde dehydrogenase (SSADH) deficiency and probably arises from the reaction of succinic semialdehyde with an intermediate in the pyruvate dehydrogenase pathway (PMID: 3126356). SSADH is a defect in gamma-aminobutyric acid catabolism, resulting in the accumulation of gamma-hydroxybutyric acid (GHB) and causing neurological and cognitive disorders of varying severity. [HMDB] 4,5-dihydroxyhexanoate 4,5-dihydroxyhexanoic acid 4,5-dihydroxyhexanoic acid lactone 4,5-dihydroxyhexanoic acid-g-lactone 4,5-dihydroxyhexanoic acid-gamma-lactone C6H10O4 146.1412 146.057908808 5,6-dihydroxyoxepan-2-one solerole 27610-27-1 OC1CCC(=O)OCC1O InChI=1S/C6H10O4/c7-4-1-2-6(9)10-3-5(4)8/h4-5,7-8H,1-3H2 QFCPIZSGDXQFDK-UHFFFAOYSA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Lactones Organic compounds Organoheterocyclic compounds Lactones Aliphatic heteromonocyclic compounds 1,2-diols Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols 1,2-diol Alcohol Aliphatic heteromonocyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Solid logp -1.18 ALOGPS logs 0.74 ALOGPS solubility 8.04e+02 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 13.33 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 5,6-dihydroxyoxepan-2-one ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles OC1CCC(=O)OCC1O ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c7-4-1-2-6(9)10-3-5(4)8/h4-5,7-8H,1-3H2 ChemAxon inchikey QFCPIZSGDXQFDK-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 32.23 ChemAxon polarizability 13.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65148 Specdb::MsMs 65149 Specdb::MsMs 65150 Specdb::MsMs 122490 Specdb::MsMs 122491 Specdb::MsMs 122492 Specdb::MsMs 2411554 Specdb::MsMs 2411555 Specdb::MsMs 2411556 Specdb::MsMs 2550633 Specdb::MsMs 2550634 Specdb::MsMs 2550635 Specdb::NmrOneD 149120 Specdb::NmrOneD 149121 Specdb::NmrOneD 149122 Specdb::NmrOneD 149123 Specdb::NmrOneD 149124 Specdb::NmrOneD 149125 Specdb::NmrOneD 149126 Specdb::NmrOneD 149127 Specdb::NmrOneD 149128 Specdb::NmrOneD 149129 Specdb::NmrOneD 149130 Specdb::NmrOneD 149131 Specdb::NmrOneD 149132 Specdb::NmrOneD 149133 Specdb::NmrOneD 149134 Specdb::NmrOneD 149135 Specdb::NmrOneD 149136 Specdb::NmrOneD 149137 Specdb::NmrOneD 149138 Specdb::NmrOneD 149139 Specdb::CMs 11389 Specdb::CMs 38297 Specdb::CMs 167315 HMDB02173 #<Reference:0x000055ce31a698c0> #<Reference:0x000055ce31a69708>