CHEBI:171937 - 5-Pentyl-1,4-dioxan-2-one

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ChEBI Name 5-Pentyl-1,4-dioxan-2-one
ChEBI ID CHEBI:171937
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O3
Net Charge 0
Average Mass 172.224
Monoisotopic Mass 172.10994
InChI InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3
InChIKey AYJJZBHSZOCJJX-UHFFFAOYSA-N
SMILES O1C(CCCCC)COC(=O)C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 5-Pentyl-1,4-dioxan-2-one (CHEBI:171937) is a dioxanes (CHEBI:46926)
IUPAC Name
5-pentyl-1,4-dioxan-2-one
Manual Xrefs Databases
26534494 ChemSpider
HMDB0059936 HMDB
View more database links
Registry Number Type Source
93263-93-5 CAS Registry Number ChemIDplus