CHEBI:141559 - 2,3,5-trimethylhexane

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ChEBI Name 2,3,5-trimethylhexane ChEBI ID CHEBI:141559 Definition An alkane that is hexane substituted by a methyl group at positions 2,3 and 5. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H20 Net Charge 0 Average Mass 128.259 Monoisotopic Mass 128.15650 InChI InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3 InChIKey ODGLTLJZCVNPBU-UHFFFAOYSA-N SMILES C(CC(C)C)(C(C)C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in cell suspension culture (BTO:0000221). Detected in human lung cancer cell line. See: PubMed 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 2,3,5-trimethylhexane (CHEBI:141559) has parent hydride hexane (CHEBI:29021) 2,3,5-trimethylhexane (CHEBI:141559) has role human metabolite (CHEBI:77746) 2,3,5-trimethylhexane (CHEBI:141559) is a alkane (CHEBI:18310) 2,3,5-trimethylhexane (CHEBI:141559) is a volatile organic compound (CHEBI:134179) IUPAC Name 2,3,5-trimethylhexane Manual Xref Database 13426 ChemSpider View more database links Registry Numbers Types Sources 1069-53-0 CAS Registry Number ChemIDplus 1069-53-0 CAS Registry Number NIST Chemistry WebBook Citation Type Source 19025629 PubMed citation Europe PMC Last Modified 18 June 2019