CHEBI:85255 - geranyl acetoacetate

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ChEBI Name geranyl acetoacetate ChEBI ID CHEBI:85255 Definition A monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H22O3 Net Charge 0 Average Mass 238.32270 Monoisotopic Mass 238.15689 InChI InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+ InChIKey RYILZWKGLGVPOC-XYOKQWHBSA-N SMILES CC(=O)CC(=O)OC\C=C(/C)CCC=C(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study Roles Classification Biological Role(s): human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. View more via ChEBI Ontology ChEBI Ontology Outgoing geranyl acetoacetate (CHEBI:85255) has functional parent acetoacetic acid (CHEBI:15344) geranyl acetoacetate (CHEBI:85255) has functional parent geraniol (CHEBI:17447) geranyl acetoacetate (CHEBI:85255) has role human blood serum metabolite (CHEBI:85234) geranyl acetoacetate (CHEBI:85255) is a carboxylic ester (CHEBI:33308) geranyl acetoacetate (CHEBI:85255) is a monoterpenoid (CHEBI:25409) IUPAC Name (2E)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate Synonym Source acetoacetic acid-(3,7-dimethyl-octa-2,6-dienyl ester) ChEBI Registry Numbers Types Sources 10032-00-5 CAS Registry Number ChemIDplus 1789343 Reaxys Registry Number Reaxys Last Modified 17 March 2015