CHEBI:167819 - 4-propylbenzoic acid

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ChEBI Name 4-propylbenzoic acid
ChEBI ID CHEBI:167819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-UHFFFAOYSA-N
SMILES O=C(O)C1=CC=C(CCC)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-propylbenzoic acid (CHEBI:167819) is a alkylbenzene (CHEBI:38976)
IUPAC Name
4-propylbenzoic acid
Manual Xrefs Databases
121262 ChemSpider
8ZU PDBeChem
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Registry Number Type Source
2438-05-3 CAS Registry Number ChemIDplus