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CHEBI:43098 - heptane
| Formula | C7H16 |
| Net Charge | 0 |
| Average Mass | 100.205 |
| Monoisotopic Mass | 100.12520 |
| SMILES | CCCCCCC |
| InChI | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| 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 |
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| 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 |
|---|---|
| CH3‒[CH2]5‒CH3 | IUPAC |
| n-heptane | NIST Chemistry WebBook |
| Heptan | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| heptane | UniProt |
| Citations |
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