CHEBI:87393 - Hexan-1-ol - EMBL-EBI

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CHEBI:87393 - hexan-1-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hexan-1-ol
ChEBI ID CHEBI:87393
Definition A primary alcohol that is hexane substituted by a hydroxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:87439, CHEBI:43057
Supplier Information
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Formula C6H14O
Net Charge 0
Average Mass 102.177
Monoisotopic Mass 102.10447
InChI InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES CCCCCCO
Metabolite of Species Details
Starmerella bacillaris (NCBI:txid1247836) See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) See: MetaboLights Study
Evolvulus alsinoides (NCBI:txid439689) See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Roles Classification
Biological Role(s): antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. alarm pheromone A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexan-1-ol (CHEBI:87393) has role alarm pheromone (CHEBI:72575) hexan-1-ol (CHEBI:87393) has role antibacterial agent (CHEBI:33282) hexan-1-ol (CHEBI:87393) has role fragrance (CHEBI:48318) hexan-1-ol (CHEBI:87393) has role plant metabolite (CHEBI:76924) hexan-1-ol (CHEBI:87393) is a hexanol (CHEBI:143552) hexan-1-ol (CHEBI:87393) is a primary alcohol (CHEBI:15734)
Incoming 2-ethylhexyl acetate (CHEBI:87392) has functional parent hexan-1-ol (CHEBI:87393) 3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) has functional parent hexan-1-ol (CHEBI:87393) hexyl 2-methylbutanoate (CHEBI:156491) has functional parent hexan-1-ol (CHEBI:87393) hexyl acetate (CHEBI:87510) has functional parent hexan-1-ol (CHEBI:87393) hexyl butyrate (CHEBI:87559) has functional parent hexan-1-ol (CHEBI:87393) hexyl heptanoate (CHEBI:172781) has functional parent hexan-1-ol (CHEBI:87393) hexyl hexanoate (CHEBI:156492) has functional parent hexan-1-ol (CHEBI:87393) hexyl octanoate (CHEBI:87490) has functional parent hexan-1-ol (CHEBI:87393) hexyl propanoate (CHEBI:87549) has functional parent hexan-1-ol (CHEBI:87393) monohexyl phthalate (CHEBI:132604) has functional parent hexan-1-ol (CHEBI:87393)
IUPAC Name
hexan-1-ol
Synonyms Sources
1-hexanol ChEBI
1-hexyl alcohol ChemIDplus
1-hydroxyhexane ChemIDplus
alcohol C-6 HMDB
alcohol(C6) HMDB
amylcarbinol HMDB
C6 alcohol HMDB
Caproic alcohol ChemIDplus
caproyl alcohol HMDB
hexan-1-ol UniProt
hexanol ChEBI
hexanol-(1) HMDB
hexyl alcohol HMDB
n-hexan-1-ol HMDB
n-hexanol HMDB
n-hexyl alcohol ChemIDplus
pentylcarbinol HMDB
Manual Xrefs Databases
1-Hexanol Wikipedia
C00000358 KNApSAcK
FDB008072 FooDB
HE2 PDBeChem
HEXANOL-CMPD MetaCyc
HMDB0012971 HMDB
View more database links
Registry Numbers Types Sources
111-27-3 CAS Registry Number ChemIDplus
111-27-3 CAS Registry Number NIST Chemistry WebBook
969167 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20055983 PubMed citation Europe PMC
24508043 PubMed citation Europe PMC
24634069 PubMed citation Europe PMC
29402559 PubMed citation Europe PMC
29431748 PubMed citation Europe PMC
35547160 PubMed citation Europe PMC
35568911 PubMed citation Europe PMC
36087769 PubMed citation Europe PMC
36374655 PubMed citation Europe PMC
37110426 PubMed citation Europe PMC
37628096 PubMed citation Europe PMC
Last Modified
25 October 2023

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