Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-19 04:56:26 UTC Update Date 2022-08-31 22:37:11 UTC MiMeDB ID MMDBc0033626 Metabolite Identification Common Name E-2-Hexen-1-ol Description 2-hexen-1-ol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2-hexen-1-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). Structure Synonyms Value Source 2-Hexenol ChEBI 3-Propylallyl alcohol ChEBI Hex-2-en-1-ol ChEBI
Chemical Formula C6 H12 O Average Molecular Weight 100.161 Monoisotopic Molecular Weight 100.088815006 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number 928-95-0 SMILES Not Available InChI Identifier InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
InChI Key ZCHHRLHTBGRGOT-UHFFFAOYSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Fatty Acyls Sub Class Fatty alcohols Direct Parent Fatty alcohols Alternative Parents Substituents Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors Functional Ontology Not Available Physical Properties State Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Not Available Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Not Available
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Fungi Ascomycota 1 Human Feces Unknown
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference
External Links HMDB ID Not Available DrugBank ID Not Available Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID C00035479 Chemspider ID Not Available KEGG Compound ID Not Available BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 13577 PDB ID Not Available ChEBI ID 144070 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Loscos N, Hernandez-Orte P, Cacho J, Ferreira V: Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions. J Agric Food Chem. 2007 Aug 8;55(16):6674-84. doi: 10.1021/jf0702343. Epub 2007 Jul 7. [PubMed:17616208 ]
