EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:88373 - 3-methylpentane
| Formula | C6H14 |
| Net Charge | 0 |
| Average Mass | 86.178 |
| Monoisotopic Mass | 86.10955 |
| SMILES | CCC(C)CC |
| InChI | InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 |
| InChIKey | PFEOZHBOMNWTJB-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (19167006) | ||
| saliva (UBERON:0001836) | PubMed (24421258) |
| Roles Classification |
|---|
| Chemical Role: | |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). allelochemical A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. |
| Application: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylpentane (CHEBI:88373) has role allelochemical (CHEBI:62215) |
| 3-methylpentane (CHEBI:88373) has role human metabolite (CHEBI:77746) |
| 3-methylpentane (CHEBI:88373) has role non-polar solvent (CHEBI:48355) |
| 3-methylpentane (CHEBI:88373) is a alkane (CHEBI:18310) |
| 3-methylpentane (CHEBI:88373) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| 3-methylpentane |
| Synonyms | Source |
|---|---|
| 3-methyl-pentane | HMDB |
| diethylmethylmethane | ChemIDplus |
| 3-Methylpentan | ChEBI |
| 3-méthylpentane | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 3-Methylpentane | Wikipedia |
| HMDB0061885 | HMDB |
| 7010 | ChemSpider |
| Citations |
|---|