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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:26:27 UTC
Update Date2022-03-07 02:56:04 UTC
HMDB IDHMDB0039082
Secondary Accession Numbers
  • HMDB39082
Metabolite Identification
Common NameCamelinin
DescriptionCamelinin belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). Camelinin has been detected, but not quantified in, fats and oils. This could make camelinin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Camelinin.
Structure
Thumb
Synonyms
ValueSource
1-isothiocyanato-10-(Methylsulfinyl)decane, 9ciHMDB
10-(Methylsulfinyl)decyl isothiocyanateHMDB
1-Isothiocyanato-10-methanesulphinyldecaneGenerator
Chemical FormulaC12H23NOS2
Average Molecular Weight261.447
Monoisotopic Molecular Weight261.122105743
IUPAC Name1-isothiocyanato-10-methanesulfinyldecane
Traditional Name1-isothiocyanato-10-methanesulfinyldecane
CAS Registry Number75272-83-2
SMILES
CS(=O)CCCCCCCCCCN=C=S
InChI Identifier
InChI=1S/C12H23NOS2/c1-16(14)11-9-7-5-3-2-4-6-8-10-13-12-15/h2-11H2,1H3
InChI KeyBULCNSNGNSSTBP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassSulfoxides
Sub ClassNot Available
Direct ParentSulfoxides
Alternative Parents
Substituents
  • Sulfoxide
  • Isothiocyanate
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Sulfinyl compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility15.14 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB018584
KNApSAcK IDC00054765
Chemspider ID8032225
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9856525
PDB IDNot Available
ChEBI ID174436
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1874061
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.. .