CHEBI:43098 - heptane

ChEBI IDCHEBI:43098
ChEBI Nameheptane
Stars
DefinitionA straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).
Secondary ChEBI IDsCHEBI:32891, CHEBI:43095
Last Modified20 September 2023
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H16
Net Charge0
Average Mass100.205
Monoisotopic Mass100.12520
SMILESCCCCCCC
InChIInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
1-nitroheptane (CHEBI:89173) has parent hydride heptane (CHEBI:43098)
2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has parent hydride heptane (CHEBI:43098)
2,4-dimethyl-1-heptene (CHEBI:141563) 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)
IUPAC Name 
heptane
Synonyms  Source
n-heptaneNIST Chemistry WebBook
HeptanNIST Chemistry WebBook
CH3‒[CH2]5‒CH3IUPAC
UniProt Name  Source
heptaneUniProt
Manual XrefsDatabases
HP6PDBeChem
HMDB0031447HMDB
HeptaneWikipedia
CPD-9286MetaCyc
Registry NumbersSources
Gmelin:49760Gmelin
Beilstein:1730763Beilstein
CAS:142-82-5ChemIDplus
CAS:142-82-5NIST Chemistry WebBook
Citations