heptan-4-ol (CHEBI:165516)

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ChEBI Name	heptan-4-ol

ChEBI ID	CHEBI:165516

Definition	A secondary alcohol that is heptane substituted by a hydroxy group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H16O

Net Charge

Average Mass

116.204

Monoisotopic Mass

116.12012

InChI

InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3

InChIKey

YVBCULSIZWMTFY-UHFFFAOYSA-N

SMILES

CCCC(O)CCC

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. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

ChEBI Ontology
Outgoing	heptan-4-ol (CHEBI:165516) has role fungal metabolite (CHEBI:76946) heptan-4-ol (CHEBI:165516) has role plant metabolite (CHEBI:76924) heptan-4-ol (CHEBI:165516) has role rat metabolite (CHEBI:86264) heptan-4-ol (CHEBI:165516) is a heptanol (CHEBI:195607) heptan-4-ol (CHEBI:165516) is a secondary alcohol (CHEBI:35681)

IUPAC Name

heptan-4-ol

Last Modified

24 October 2023