CHEBI:229298 - 2-chloro-Hexane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-chloro-Hexane
ChEBI ID CHEBI:229298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H13Cl
Net Charge 0
Average Mass 120.620
Monoisotopic Mass 120.07058
InChI InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChIKey GLCIPJOIEVLTPR-UHFFFAOYSA-N
SMILES ClC(CCCC)C
Metabolite of Species Details
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-chloro-Hexane (CHEBI:229298) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2-chlorohexane
Manual Xrefs Databases
12004 ChemSpider
D89320 KEGG DRUG
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