EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:63910 - 4-methylpentan-1-ol

ChEBI IDCHEBI:63910
ChEBI Name4-methylpentan-1-ol
Stars
DefinitionA primary alcohol that is pentan-1-ol bearing an additional methyl substituent at position 4.
Last Modified21 November 2018
SubmitterSteve
DownloadsMolfile
FormulaC6H14O
Net Charge0
Average Mass102.177
Monoisotopic Mass102.10447
SMILESCC(C)CCCO
InChIInChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyPCWGTDULNUVNBN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-methylpentan-1-ol (CHEBI:63910) has role metabolite (CHEBI:25212)
4-methylpentan-1-ol (CHEBI:63910) is a alkyl alcohol (CHEBI:50584)
4-methylpentan-1-ol (CHEBI:63910) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
4-methylpentyl hexadecanoate (CHEBI:235327) has functional parent 4-methylpentan-1-ol (CHEBI:63910)
IUPAC Name 
4-methylpentan-1-ol
Synonyms  Source
4-MethylpentanolChemIDplus
Isohexyl alcoholChemIDplus
4-Methyl-1-pentanolChemIDplus
IsohexanolChemIDplus
iso-HexanolChemIDplus
2-Methyl-5-pentanolNIST Chemistry WebBook
UniProt Name  Source
4-methylpentan-1-olUniProt
Manual XrefsDatabases
HMDB0059889HMDB
4-Methylpentan-1-olWikipedia
US2011177571Patent
Registry NumbersSources
Reaxys:1731303Reaxys
CAS:626-89-1ChemIDplus
CAS:1320-98-5ChemIDplus
CAS:626-89-1NIST Chemistry WebBook
Citations