CHEBI:171861 - Rhodinyl isobutyrate

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ChEBI Name Rhodinyl isobutyrate
ChEBI ID CHEBI:171861
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H26O2
Net Charge 0
Average Mass 226.360
Monoisotopic Mass 226.19328
InChI InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3
InChIKey KHCGLDOOFYZQKU-UHFFFAOYSA-N
SMILES O(CCC(CCCC(C)=C)C)C(=O)C(C)C
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 Rhodinyl isobutyrate (CHEBI:171861) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3,7-dimethyloct-7-enyl 2-methylpropanoate
Manual Xrefs Databases
55039 ChemSpider
HMDB0037189 HMDB
LMFA07011013 LIPID MAPS
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Registry Number Type Source
138-23-8 CAS Registry Number ChemIDplus