EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89191 - 2-Methyl-2-phenyl-undecane

ChEBI IDCHEBI:89191
ChEBI Name2-Methyl-2-phenyl-undecane
Stars
DownloadsMolfile
FormulaC14H22
Net Charge0
Average Mass190.330
Monoisotopic Mass190.17215
SMILESCC(C)(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C14H22/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyCQMDBLRKZWOZIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC–MS and 1H NMR analysis of urine. Metabolomics 8:323–334.)
ChEBI Ontology
Outgoing Relation(s)
2-Methyl-2-phenyl-undecane (CHEBI:89191) is a alkylbenzene (CHEBI:38976)
Synonyms  Source
2-Methyl-2-phenyl-UndecaneHMDB
2-Methyl-2-phenylundecaneHMDB
(2,4,4-trimethylpentan-2-yl)benzeneHMDB
(1,1-Dimethyldecyl)benzeneHMDB
Manual XrefsDatabases
HMDB0013820HMDB
Registry NumbersSources
CAS:27854-40-6KEGG COMPOUND