CHEBI:191913 - 2-Phenylethyl 2-aminobenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Phenylethyl 2-aminobenzoate
ChEBI ID CHEBI:191913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H15NO2
Net Charge 0
Average Mass 241.290
Monoisotopic Mass 241.11028
InChI InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKey PXWNBAGCFUDYBE-UHFFFAOYSA-N
SMILES O(CCC1=CC=CC=C1)C(=O)C=2C(N)=CC=CC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Phenylethyl 2-aminobenzoate (CHEBI:191913) is a benzoate ester (CHEBI:36054)
IUPAC Name
2-phenylethyl 2-aminobenzoate
Manual Xref Database
8296 ChemSpider
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Registry Number Type Source
133-18-6 CAS Registry Number ChemIDplus