EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84281 - 2-isopropyl-5-methyl-1-heptanol

ChEBI IDCHEBI:84281
ChEBI Name2-isopropyl-5-methyl-1-heptanol
Stars
DefinitionA primary alcohol that is 1-heptanol substituted by an isopropyl group at position 2 and a methyl group at position 5.
Last Modified13 January 2015
Submitternamrata
DownloadsMolfile
FormulaC11H24O
Net Charge0
Average Mass172.312
Monoisotopic Mass172.18272
SMILESCCC(C)CCC(CO)C(C)C
InChIInChI=1S/C11H24O/c1-5-10(4)6-7-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyQKPITXQYXIOHTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS152)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has parent hydride heptane (CHEBI:43098)
2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has role human metabolite (CHEBI:77746)
2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) is a primary alcohol (CHEBI:15734)
IUPAC Name 
5-methyl-2-(propan-2-yl)heptan-1-ol
Registry NumbersSources
Reaxys:1840007Reaxys