CHEBI:191372 - 3-methylbenzylsuccinic acid

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ChEBI Name 3-methylbenzylsuccinic acid ChEBI ID CHEBI:191372 Definition A dicarboxylic acid consisting of succinic acid carrying a 3-methylbenzyl group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams 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 C12H14O4 Net Charge 0 Average Mass 222.240 Monoisotopic Mass 222.08921 InChI InChI=1S/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16) InChIKey OHQFGTDAUDLCBG-UHFFFAOYSA-N SMILES CC1=CC(CC(CC(O)=O)C(O)=O)=CC=C1 Roles Classification Chemical Role(s): 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 3-methylbenzylsuccinic acid (CHEBI:191372) has functional parent succinic acid (CHEBI:15741) 3-methylbenzylsuccinic acid (CHEBI:191372) is a benzenes (CHEBI:22712) 3-methylbenzylsuccinic acid (CHEBI:191372) is a dicarboxylic acid (CHEBI:35692) 3-methylbenzylsuccinic acid (CHEBI:191372) is conjugate acid of 3-methylbenzylsuccinate(2−) (CHEBI:191236) Incoming 3-methylbenzylsuccinate(2−) (CHEBI:191236) is conjugate base of 3-methylbenzylsuccinic acid (CHEBI:191372) IUPAC Name 2-(3-methylbenzyl)butanedioic acid Synonyms Sources (3-methylbenzyl)butanedioic acid ChEBI (3-methylbenzyl)succinic acid ChEBI 2-(3-methylbenzyl)succinic acid ChEBI 2-[(3-methylphenyl)methyl]butanedioic acid IUPAC m-methylbenzylsuccinic acid ChemIDplus Manual Xref Database 198493 ChemSpider View more database links Registry Number Type Source 6315-20-4 CAS Registry Number ChemIDplus Citations Types Sources 14689166 PubMed citation Europe PMC 21261916 PubMed citation Europe PMC Last Modified 05 May 2022