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CHEBI:59109 - 4,5,6-trimethyl-3-pentadecylcatechol

Default Structure
ChEBI IDCHEBI:59109
ChEBI Name4,5,6-trimethyl-3-pentadecylcatechol
Stars
DefinitionCatechol substituted at positions 3, 4 and 5 (4, 5 and 6) with methyl groups and at position 6 (3) with a pentadecyl group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H42O2
Net Charge0
Average Mass362.598
Monoisotopic Mass362.31848
SMILESCCCCCCCCCCCCCCCc1c(C)c(C)c(C)c(O)c1O
InChIInChI=1S/C24H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(3)19(2)21(4)23(25)24(22)26/h25-26H,5-18H2,1-4H3
InChIKeyLDSXBSAASMZCGN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) has role allergen (CHEBI:50904)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) has role hapten (CHEBI:59174)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) is a catechols (CHEBI:33566)
IUPAC Name 
3,4,5-trimethyl-6-pentadecylbenzene-1,2-diol
Synonyms  Source
3,4,5-trimethyl-6-pentadecylcatecholChEBI
4,5,6-tri-Me-PDCChEBI
Registry NumbersSources
Beilstein:3062782Beilstein
CAS:16273-19-1ChemIDplus
Citations