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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 12:54:37 UTC
Update Date2021-09-26 23:07:40 UTC
HMDB IDHMDB0253994
Secondary Accession NumbersNone
Metabolite Identification
Common NameLauroyl peroxide
Descriptiondodecanoyl dodecaneperoxoate, also known as dilauroyl peroxide, belongs to the class of organic compounds known as diacyl peroxides. These are organooxygen compounds containing a peroxide disubstituted with acyl groups. Based on a literature review very few articles have been published on dodecanoyl dodecaneperoxoate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Lauroyl peroxide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Lauroyl peroxide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
Dilauroyl peroxideKegg
Dodecanoyl dodecaneperoxoic acidGenerator
Lauroyl peroxideMeSH
Chemical FormulaC24H46O4
Average Molecular Weight398.628
Monoisotopic Molecular Weight398.339609961
IUPAC Namedodecanoyl dodecaneperoxoate
Traditional Nameperoxide, bis(1-oxododecyl)
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
InChI Identifier
InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChI KeyYIVJZNGAASQVEM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diacyl peroxides. These are organooxygen compounds containing a peroxide disubstituted with acyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDiacyl peroxides
Alternative Parents
Substituents
  • Diacyl peroxide
  • Peroxycarboxylic acid or derivatives
  • Carboxylic acid salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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 LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID7485
KEGG Compound IDC19438
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1254541
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]