CHEBI:44884 - pentan-1-ol

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ChEBI Name pentan-1-ol
ChEBI ID CHEBI:44884
Definition An alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H12O
Net Charge 0
Average Mass 88.14818
Monoisotopic Mass 88.089
InChI InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey AMQJEAYHLZJPGS-UHFFFAOYSA-N
SMILES CCCCCO
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.
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ChEBI Ontology
Outgoing pentan-1-ol (CHEBI:44884) has role plant metabolite (CHEBI:76924)
pentan-1-ol (CHEBI:44884) is a alkyl alcohol (CHEBI:50584)
pentan-1-ol (CHEBI:44884) is a primary alcohol (CHEBI:15734)
Incoming dipentyl phthalate (CHEBI:34680) has functional parent pentan-1-ol (CHEBI:44884)
monopentyl phthalate (CHEBI:132578) has functional parent pentan-1-ol (CHEBI:44884)
pentyl acetate (CHEBI:87362) has functional parent pentan-1-ol (CHEBI:44884)
pentyl butyrate (CHEBI:87684) has functional parent pentan-1-ol (CHEBI:44884)
pentyl propanoate (CHEBI:87373) has functional parent pentan-1-ol (CHEBI:44884)
IUPAC Name
pentan-1-ol
Synonyms Sources
1-pentanol NIST Chemistry WebBook
1-pentol NIST Chemistry WebBook
1-pentyl alcohol ChemIDplus
alcool amylique ChemIDplus
amyl alcohol, normal ChemIDplus
Amylalkohol ChEBI
amylol ChemIDplus
butylcarbinol ChemIDplus
n-amyl alcohol ChemIDplus
n-Amylalkohol ChemIDplus
n-butylcarbinol NIST Chemistry WebBook
n-C5H11OH NIST Chemistry WebBook
n-pentan-1-ol ChemIDplus
n-pentyl alcohol ChemIDplus
PENTAN-1-OL PDBeChem
pentanol-1 ChemIDplus
pentyl alcohol ChemIDplus
Pentylalkohol ChEBI
primary amyl alcohol ChemIDplus
Database Links Databases
1-Pentanol Wikipedia
C16834 KEGG COMPOUND
HMDB0013036 HMDB
PE9 PDBeChem
PENTANOL MetaCyc
View more database links
Registry Numbers Types Sources
1730975 Reaxys Registry Number Reaxys
1730975 Beilstein Registry Number ChemIDplus
25922 Gmelin Registry Number Gmelin
71-41-0 CAS Registry Number ChemIDplus
71-41-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16348804 PubMed citation Europe PMC
21485271 PubMed citation Europe PMC
8033286 PubMed citation Europe PMC
Last Modified
15 July 2016