CHEBI:43098 - heptane

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ChEBI Name heptane
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
Monoisotopic Mass 100.12520
InChI InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
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)
heptane (CHEBI:43098) is a volatile organic compound (CHEBI:134179)
Incoming 1-nitroheptane (CHEBI:89173) has parent hydride heptane (CHEBI:43098)
2,4-dimethyl-1-heptene (CHEBI:141563) has parent hydride heptane (CHEBI:43098)
2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has parent hydride heptane (CHEBI:43098)
4-heptanone (CHEBI:89484) has parent hydride heptane (CHEBI:43098)
heptane-1,2,3-triol (CHEBI:67095) has parent hydride heptane (CHEBI:43098)
heptanol (CHEBI:195607) 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)
Synonyms Sources
Heptan NIST Chemistry WebBook
heptane UniProt
n-heptane NIST Chemistry WebBook
Manual Xrefs Databases
CPD-9286 MetaCyc
Heptane Wikipedia
HMDB0031447 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 Europe PMC
23544797 PubMed citation Europe PMC
Last Modified
20 September 2023