CHEBI:44884 - pentan-1-ol

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ChEBI Name pentan-1-ol
ChEBI ID CHEBI:44884
Definition A short-chain primary fatty 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 88.08882
InChI InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey AMQJEAYHLZJPGS-UHFFFAOYSA-N
SMILES CCCCCO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
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.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing pentan-1-ol (CHEBI:44884) has role human metabolite (CHEBI:77746)
pentan-1-ol (CHEBI:44884) has role plant metabolite (CHEBI:76924)
pentan-1-ol (CHEBI:44884) is a pentanol (CHEBI:143597)
pentan-1-ol (CHEBI:44884) is a short-chain primary fatty alcohol (CHEBI:157770)
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 dodecanoate (CHEBI:188346) has functional parent pentan-1-ol (CHEBI:44884)
pentyl octanoate (CHEBI:165637) 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
pentanol-1 ChemIDplus
pentyl alcohol ChemIDplus
Pentylalkohol ChEBI
primary amyl alcohol ChemIDplus
Manual Xrefs Databases
1-Pentanol Wikipedia
C00035784 KNApSAcK
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 NIST Chemistry WebBook
71-41-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16348804 PubMed citation Europe PMC
17314143 PubMed citation Europe PMC
21485271 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
26839590 PubMed citation Europe PMC
28900255 PubMed citation Europe PMC
30821470 PubMed citation Europe PMC
32053870 PubMed citation Europe PMC
34233208 PubMed citation Europe PMC
36266858 PubMed citation Europe PMC
8033286 PubMed citation Europe PMC
IND608009856 Agricola citation Europe PMC
Last Modified
25 October 2023