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CHEBI:29021 - hexane
| Formula | C6H14 |
| Net Charge | 0 |
| Average Mass | 86.178 |
| Monoisotopic Mass | 86.10955 |
| SMILES | CCCCCC |
| InChI | InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| InChIKey | VLKZOEOYAKHREP-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | |
| Biological Role: | neurotoxin A poison that interferes with the functions of the nervous system. |
| Application: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexane (CHEBI:29021) has role neurotoxin (CHEBI:50910) |
| hexane (CHEBI:29021) has role non-polar solvent (CHEBI:48355) |
| hexane (CHEBI:29021) is a alkane (CHEBI:18310) |
| hexane (CHEBI:29021) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| 1-iminohexane-2,3,4,5-tetrol (CHEBI:111512) has parent hydride hexane (CHEBI:29021) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has parent hydride hexane (CHEBI:29021) |
| 1-nitrohexane (CHEBI:89185) has parent hydride hexane (CHEBI:29021) |
| 2-hexanamine (CHEBI:195543) has parent hydride hexane (CHEBI:29021) |
| 2,3,5-trimethylhexane (CHEBI:141559) has parent hydride hexane (CHEBI:29021) |
| 2,4-dimethylhexane (CHEBI:141561) has parent hydride hexane (CHEBI:29021) |
| 2,5-hexanedione (CHEBI:85014) has parent hydride hexane (CHEBI:29021) |
| 3-hexanone (CHEBI:89891) has parent hydride hexane (CHEBI:29021) |
| 3-mercaptohexanol (CHEBI:77690) has parent hydride hexane (CHEBI:29021) |
| 3-methoxy-3-methylhexane (CHEBI:84286) has parent hydride hexane (CHEBI:29021) |
| 5-iminohexane-1,2,3,4,6-pentol (CHEBI:131195) has parent hydride hexane (CHEBI:29021) |
| 7-(methylthio)heptanonitrile oxide (CHEBI:136945) has parent hydride hexane (CHEBI:29021) |
| hexanal (CHEBI:88528) has parent hydride hexane (CHEBI:29021) |
| hexane-1,6-diamine (CHEBI:39618) has parent hydride hexane (CHEBI:29021) |
| hexane-1,6-diol (CHEBI:43078) has parent hydride hexane (CHEBI:29021) |
| hexane-2,5-diol (CHEBI:84894) has parent hydride hexane (CHEBI:29021) |
| hexanol (CHEBI:143552) has parent hydride hexane (CHEBI:29021) |
| perfluorohexane (CHEBI:39427) has parent hydride hexane (CHEBI:29021) |
| hexyl group (CHEBI:24593) is substituent group from hexane (CHEBI:29021) |
| IUPAC Name |
|---|
| hexane |
| Synonyms | Source |
|---|---|
| CH3‒[CH2]4‒CH3 | IUPAC |
| Hexan | ChEBI |
| Hexane | KEGG COMPOUND |
| HEXANE | PDBeChem |
| n-Hexane | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11271 | KEGG COMPOUND |
| DB02764 | DrugBank |
| HEX | PDBeChem |
| Hexane | Wikipedia |
| HMDB0029600 | HMDB |
| LMFA11000007 | LIPID MAPS |
| Citations |
|---|