CHEBI:171979 - 6-Hexyl-1,4-dioxan-2-one

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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 6-Hexyl-1,4-dioxan-2-one
ChEBI ID CHEBI:171979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O3
Net Charge 0
Average Mass 186.251
Monoisotopic Mass 186.12559
InChI InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3
InChIKey DDMSZJBFTYIFQQ-UHFFFAOYSA-N
SMILES O1C(CCCCCC)COCC1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Hexyl-1,4-dioxan-2-one (CHEBI:171979) is a dioxanes (CHEBI:46926)
IUPAC Name
6-hexyl-1,4-dioxan-2-one
Manual Xrefs Databases
14517734 ChemSpider
HMDB0039582 HMDB
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Registry Number Type Source
59646-18-3 CAS Registry Number ChemIDplus