CHEBI:87381 - 3-methylpentanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methylpentanol
ChEBI ID CHEBI:87381
Definition A primary alcohol that is pentanol substituted by a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H14O
Net Charge 0
Average Mass 102.17480
Monoisotopic Mass 102.10447
InChI InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey IWTBVKIGCDZRPL-UHFFFAOYSA-N
SMILES CCC(C)CCO
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methylpentanol (CHEBI:87381) has role plant metabolite (CHEBI:76924)
3-methylpentanol (CHEBI:87381) is a primary alcohol (CHEBI:15734)
IUPAC Name
3-methylpentan-1-ol
Synonym Source
3-ethylbutanol ChEBI
Registry Numbers Types Sources
1718979 Reaxys Registry Number Reaxys
589-35-5 CAS Registry Number NIST Chemistry WebBook
589-35-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20860033 PubMed citation Europe PMC
21341698 PubMed citation Europe PMC
Last Modified
01 September 2015