CHEBI:43098 - heptane

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ChEBI Name heptane
ChEBI ID CHEBI:43098
Definition A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43095, CHEBI:32891
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Formula C7H16
Net Charge 0
Average Mass 100.20194
InChI InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N
SMILES CCCCCCC
Roles Classification
Chemical Role(s): non-polar solvent

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.
Application(s): non-polar solvent

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ChEBI Ontology
Outgoing heptane (CHEBI:43098) has role non-polar solvent (CHEBI:48355)
heptane (CHEBI:43098) has role plant metabolite (CHEBI:76924)
heptane (CHEBI:43098) is a alkane (CHEBI:18310)
Incoming 2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has parent hydride heptane (CHEBI:43098)
heptane-1,2,3-triol (CHEBI:67095) has parent hydride heptane (CHEBI:43098)
perfluoroheptane (CHEBI:38847) has parent hydride heptane (CHEBI:43098)
heptyl group (CHEBI:24526) is substituent group from heptane (CHEBI:43098)
IUPAC Name
heptane
Synonyms Sources
CH3‒[CH2]5‒CH3 IUPAC
Heptan NIST Chemistry WebBook
n-heptane NIST Chemistry WebBook
Database Links Databases
CPD-9286 MetaCyc
Heptane Wikipedia
HMDB31447 HMDB
HP6 PDBeChem
View more database links
Registry Numbers Types Sources
142-82-5 CAS Registry Number NIST Chemistry WebBook
142-82-5 CAS Registry Number ChemIDplus
1730763 Beilstein Registry Number Beilstein
49760 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
12226360 PubMed citation CiteXplore
23544797 PubMed citation CiteXplore
Last Modified
23 October 2015