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CHEBI:74322 - 4,8,12-trimethyltrideca 1,3,7,11-tetraene

ChEBI IDCHEBI:74322
ChEBI Name4,8,12-trimethyltrideca 1,3,7,11-tetraene
Stars
DefinitionA sesquiterpene that is trideca 1,3,7,11-tetraene bearing three methyl substituents at poitions 4, 8 and 12 (the 3E,7E-geoisomer).
Last Modified7 November 2017
DownloadsMolfile
FormulaC16H26
Net Charge0
Average Mass218.384
Monoisotopic Mass218.20345
SMILESC=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
InChIKeyCWLVBFJCJXHUCF-RNPYNJAESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4,8,12-trimethyltrideca 1,3,7,11-tetraene (CHEBI:74322) has role metabolite (CHEBI:25212)
4,8,12-trimethyltrideca 1,3,7,11-tetraene (CHEBI:74322) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
Synonym  Source
TMTTSUBMITTER
UniProt Name  Source
(3E,7E)-4,8,12-trimethyltrideca 1,3,7,11-tetraeneUniProt
Manual XrefsDatabases
HMDB0034498HMDB
Registry NumbersSources
Reaxys:2074479Reaxys
CAS:62235-06-7ChemIDplus
Citations