EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88865 - 1,3-Di-tert-butylbenzene

ChEBI IDCHEBI:88865
ChEBI Name1,3-Di-tert-butylbenzene
Stars
Last Modified9 August 2018
DownloadsMolfile
FormulaC14H22
Net Charge0
Average Mass190.330
Monoisotopic Mass190.17215
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
InChIKeyILNDSSCEZZFNGE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (21970810)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
ChEBI Ontology
Outgoing Relation(s)
1,3-Di-tert-butylbenzene (CHEBI:88865) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
1,3-di-tert-butylbenzene
Synonym  Source
m-di-tert-butylbenzeneChEBI
Manual XrefsDatabases
HMDB0061923HMDB
Citations