Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:09:13 UTC
Update Date2022-08-31 06:37:01 UTC
Metabolite IDMMDBc0013992
Metabolite Identification
Common Name(-)-Homononactic acid
Description(-)-Homononactic acid belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen (-)-Homononactic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
(-)-HomononactateGenerator
Molecular FormulaC11H20O4
Average Mass216.277
Monoisotopic Mass216.136159124
IUPAC Name(2R)-2-{5-[(2S)-2-hydroxybutyl]oxolan-2-yl}propanoic acid
Traditional Name(2R)-2-{5-[(2S)-2-hydroxybutyl]oxolan-2-yl}propanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](O)(CC)CC1([H])CCC([H])(O1)[C@@]([H])(C)C(O)=O
InChI Identifier
InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9?,10?/m1/s1
InChI KeyHTCUURQJNZBKIA-XHHQTKHESA-N