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hexane (CHEBI:29021)

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ChEBI Name hexane
ChEBI ID CHEBI:29021
Definition An unbranched alkane containing six carbon atoms.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43148, CHEBI:10606, CHEBI:24566, CHEBI:24568
Supplier Information
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Formula Source
C6H14 KEGG COMPOUND
Net Charge 0
Average Mass 86.17536
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES
CCCCCC
Roles Classification
Chemical Role(s): non-polar solvent

Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
Application(s): non-polar solvent

View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Incoming 3-mercaptohexanol (CHEBI:77690) 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)
perfluorohexane (CHEBI:39427) has parent hydride hexane (CHEBI:29021)
hexyl group (CHEBI:24593) is substituent group from hexane (CHEBI:29021)
IUPAC Name
hexane
Synonyms Sources
CH3‒[CH2]4‒CH3 IUPAC
Hexan ChEBI
Hexane KEGG COMPOUND
HEXANE PDBeChem
n-Hexane KEGG COMPOUND
Database Links Databases
C11271 KEGG COMPOUND
DB02764 DrugBank
HEX PDBeChem
Hexane Wikipedia
HMDB29600 HMDB
LMFA11000007 LIPID MAPS
View more database links
Registry Numbers Types Sources
110-54-3 CAS Registry Number KEGG COMPOUND
110-54-3 CAS Registry Number NIST Chemistry WebBook
110-54-3 CAS Registry Number ChemIDplus
1730733 Reaxys Registry Number Reaxys
1730733 Beilstein Registry Number Beilstein
1985 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11292478 PubMed citation CiteXplore
11684179 PubMed citation CiteXplore
11886809 PubMed citation CiteXplore
15325316 PubMed citation CiteXplore
18231777 PubMed citation CiteXplore
19229957 PubMed citation CiteXplore
19384711 PubMed citation CiteXplore
23452516 PubMed citation CiteXplore
23567114 PubMed citation CiteXplore
23620851 PubMed citation CiteXplore
23740543 PubMed citation CiteXplore
23822317 PubMed citation CiteXplore
23931182 PubMed citation CiteXplore
7612176 PubMed citation CiteXplore
Last Modified
12 May 2014

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