CHEBI:176912 - (1S)-isoindoline-1-carboxylic acid

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ChEBI Name (1S)-isoindoline-1-carboxylic acid ChEBI ID CHEBI:176912 ChEBI ASCII Name (1S)-isoindoline-1-carboxylic acid Definition A non-proteinogenic α-amino acid in which benzene is ortho-fused onto the C-3‒C-4 bond of L-proline. 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 C9H9NO2 Net Charge 0 Average Mass 163.176 Monoisotopic Mass 163.06333 InChI InChI=1S/C9H9NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1 InChIKey OFKFBEJYOHXPIA-QMMMGPOBSA-N SMILES OC(=O)[C@H]1NCC2=CC=CC=C12 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (1S)-isoindoline-1-carboxylic acid (CHEBI:176912) is a non-proteinogenic α-amino acid (CHEBI:83925) IUPAC Name (1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid Synonyms Sources (1,3)-dihydro-2H-isoindole-(S)-2-carboxylic acid Note: (2021-07-28) Suspect nomenclature from PMID:17081730 ChEBI Disc ChEBI Citation Type Source 17081730 PubMed citation Europe PMC Last Modified 28 July 2021