CHEBI:143849 - 2,3,3-trimethylpentane

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ChEBI Name 2,3,3-trimethylpentane ChEBI ID CHEBI:143849 Definition A branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information ZINC000001713445 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H18 Net Charge 0 Average Mass 114.232 Monoisotopic Mass 114.14085 InChI InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3 InChIKey OKVWYBALHQFVFP-UHFFFAOYSA-N SMILES CC(C(CC)(C)C)C Metabolite of Species Details Bacillus megaterium (NCBI:txid1404) of strain Mes11 See: PubMed Pseudomonas fluorescens (NCBI:txid294) of strain SG-1 See: PubMed Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed Bos taurus (NCBI:txid9913) Detected at the headspace of the longissimus dorsi muscle of beef. See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,3,3-trimethylpentane (CHEBI:143849) has role bacterial metabolite (CHEBI:76969) 2,3,3-trimethylpentane (CHEBI:143849) has role human metabolite (CHEBI:77746) 2,3,3-trimethylpentane (CHEBI:143849) has role mammalian metabolite (CHEBI:75768) 2,3,3-trimethylpentane (CHEBI:143849) is a alkane (CHEBI:18310) 2,3,3-trimethylpentane (CHEBI:143849) is a volatile organic compound (CHEBI:134179) IUPAC Name 2,3,3-trimethylpentane Manual Xrefs Databases 10742 ChemSpider 2,3,3-Trimethylpentane Wikipedia View more database links Registry Numbers Types Sources 560-21-4 CAS Registry Number ChemIDplus 560-21-4 CAS Registry Number NIST Chemistry WebBook Citations Last Modified 04 June 2019