2-pentylfuran (CHEBI:89197)

CHEBI:89197 - 2-pentylfuran

ChEBI ID	CHEBI:89197
ChEBI Name	2-pentylfuran
Stars
Definition	A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks.
Last Modified	18 June 2021
Downloads	Molfile

Formula	C9H14O
Net Charge	0
Average Mass	138.210
Monoisotopic Mass	138.10447
SMILES	CCCCCc1ccco1
InChI	InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey	YVBAUDVGOFCUSG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	faeces (UBERON:0001988)	PubMed (23454028)
	urine (BTO:0001419)	Article (Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC–MS and 1H NMR analysis of urine. Metabolomics 8:323–334.)
	saliva (UBERON:0001836)	PubMed (24421258)
Aspergillus fumigatus (ncbitaxon:746128)	-	PubMed (18404548)
Albizia lebbeck (ncbitaxon:371650)	-	PubMed (33301915)
Bacillus megaterium (ncbitaxon:1404)	-	PubMed (20799087)	Strain: XTBG34
Trichoderma asperelloides (ncbitaxon:702382)	-	PubMed (33291279)

Roles Classification

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

flavouring agent A food additive that is used to added improve the taste or odour of a food.

insect repellent An insecticide that acts as a repellent to insects.

flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology

Outgoing Relation(s)
	2-pentylfuran (CHEBI:89197) has role Aspergillus metabolite (CHEBI:76956)
	2-pentylfuran (CHEBI:89197) has role bacterial metabolite (CHEBI:76969)
	2-pentylfuran (CHEBI:89197) has role flavouring agent (CHEBI:35617)
	2-pentylfuran (CHEBI:89197) has role human urinary metabolite (CHEBI:84087)
	2-pentylfuran (CHEBI:89197) has role insect repellent (CHEBI:71692)
	2-pentylfuran (CHEBI:89197) has role plant growth stimulator (CHEBI:26157)
	2-pentylfuran (CHEBI:89197) has role volatile oil component (CHEBI:27311)
	2-pentylfuran (CHEBI:89197) is a furans (CHEBI:24129)

IUPAC Name
2-pentylfuran

Citations