CHEBI:197503 - octan-4-ol

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ChEBI Name octan-4-ol ChEBI ID CHEBI:197503 Definition A secondary alcohol that is octane substituted by a hydroxy group at position 4. Stars This entity has been manually annotated by the ChEBI Team. 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 C8H18O Net Charge 0 Average Mass 130.231 Monoisotopic Mass 130.13577 InChI InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3 InChIKey WOFPPJOZXUTRAU-UHFFFAOYSA-N SMILES CCCCC(O)CCC Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing octan-4-ol (CHEBI:197503) has role xenobiotic metabolite (CHEBI:76206) octan-4-ol (CHEBI:197503) is a octanol (CHEBI:37868) octan-4-ol (CHEBI:197503) is a secondary alcohol (CHEBI:35681) IUPAC Name octan-4-ol Synonyms Sources 4-hydroxyoctane ChEBI 4-octanol NIST Chemistry WebBook 4-octyl alcohol ChEBI butyl propyl carbinol ChEBI butylpropylcarbinol ChEBI n-octan-4-ol NIST Chemistry WebBook Registry Numbers Types Sources 1719296 Reaxys Registry Number Reaxys 589-62-8 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 10901696 PubMed citation Europe PMC 11950291 PubMed citation Europe PMC 12714082 PubMed citation Europe PMC 2742496 PubMed citation Europe PMC 34693949 PubMed citation Europe PMC Last Modified 25 October 2023