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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:44:33 UTC
Update Date2023-02-21 17:21:04 UTC
HMDB IDHMDB0031636
Secondary Accession Numbers
  • HMDB31636
Metabolite Identification
Common Name(E)-1-Propene-1-sulfenic acid
Description(E)-1-Propene-1-sulfenic acid, also known as (e)-1-propene-1-sulphenate, belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl) (E)-1-Propene-1-sulfenic acid has been detected, but not quantified in, several different foods, such as green onion, red onion, garden onion (var.), onion-family vegetables, and welsh onions (Allium fistulosum). This could make (e)-1-propene-1-sulfenic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (E)-1-Propene-1-sulfenic acid.
Structure
Thumb
Synonyms
ValueSource
(e)-1-Propene-1-sulfenateGenerator
(e)-1-Propene-1-sulphenateGenerator
(e)-1-Propene-1-sulphenic acidGenerator
1-Propenylsulfenic acidGenerator
1-PropenylsulphenateGenerator
1-Propenylsulphenic acidGenerator
Chemical FormulaC3H6OS
Average Molecular Weight90.144
Monoisotopic Molecular Weight90.013935504
IUPAC Name(1E)-prop-1-ene-1-SO-thioperoxol
Traditional Name(1E)-prop-1-ene-1-SO-thioperoxol
CAS Registry NumberNot Available
SMILES
C\C=C\SO
InChI Identifier
InChI=1S/C3H6OS/c1-2-3-5-4/h2-4H,1H3/b3-2+
InChI KeyMJPOWQTYEJVYKF-NSCUHMNNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl).
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassSulfenyl compounds
Sub ClassNot Available
Direct ParentSulfenyl compounds
Alternative Parents
Substituents
  • Sulfenyl compound
  • So-thioperoxol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008284
KNApSAcK IDNot Available
Chemspider ID15421666
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound20371837
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .