CHEBI:171825 - 2,6-Dimethyl-5-heptenal propyleneglycol acetal

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ChEBI Name 2,6-Dimethyl-5-heptenal propyleneglycol acetal
ChEBI ID CHEBI:171825
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)12-13-8-11(4)14-12/h6,10-12H,5,7-8H2,1-4H3
InChIKey UVCDCGGGCGCIRU-UHFFFAOYSA-N
SMILES O1C(OCC1C)C(CCC=C(C)C)C
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 2,6-Dimethyl-5-heptenal propyleneglycol acetal (CHEBI:171825) is a dioxolane (CHEBI:39430)
IUPAC Name
4-methyl-2-(6-methylhept-5-en-2-yl)-1,3-dioxolane
Manual Xrefs Databases
21105882 ChemSpider
HMDB0032235 HMDB
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Registry Number Type Source
74094-63-6 CAS Registry Number ChemIDplus