CHEBI:84221 - 1-ethyl-2-propylcyclohexane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-ethyl-2-propylcyclohexane
ChEBI ID CHEBI:84221
Definition A cycloalkane that is cyclohexane substituted by an ethyl and a propyl group at positions 1 and 2 respectively. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H22
Net Charge 0
Average Mass 154.29240
Monoisotopic Mass 154.17215
InChI InChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey NNNKGLVDUYFBHS-UHFFFAOYSA-N
SMILES CCCC1CCCCC1CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-ethyl-2-propylcyclohexane (CHEBI:84221) has parent hydride cyclohexane (CHEBI:29005)
1-ethyl-2-propylcyclohexane (CHEBI:84221) has role human metabolite (CHEBI:77746)
1-ethyl-2-propylcyclohexane (CHEBI:84221) is a cycloalkane (CHEBI:23453)
IUPAC Name
1-ethyl-2-propylcyclohexane
Registry Number Type Source
3230958 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25518943 PubMed citation Europe PMC
Last Modified
14 January 2015