CHEBI:132574 - mono(6-carboxy-2-methylheptyl) phthalate

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ChEBI Name mono(6-carboxy-2-methylheptyl) phthalate ChEBI ID CHEBI:132574 Definition A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 7-hydroxy-2,6-dimethylheptanoic 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 C17H22O6 Net Charge 0 Average Mass 322.354 Monoisotopic Mass 322.14164 InChI InChI=1S/C17H22O6/c1-11(6-5-7-12(2)15(18)19)10-23-17(22)14-9-4-3-8-13(14)16(20)21/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,18,19)(H,20,21) InChIKey JJZDVFQRUJRRSA-UHFFFAOYSA-N SMILES C1(=CC=CC=C1C(=O)OCC(CCCC(C)C(=O)O)C)C(=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Application(s): endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via phthalate ester ) View more via ChEBI Ontology ChEBI Ontology Outgoing mono(6-carboxy-2-methylheptyl) phthalate (CHEBI:132574) is a dicarboxylic acid (CHEBI:35692) mono(6-carboxy-2-methylheptyl) phthalate (CHEBI:132574) is a phthalic acid monoester (CHEBI:132610) IUPAC Name 2-{[(6-carboxy-2-methylheptyl)oxy]carbonyl}benzoic acid Synonym Source mono(6-COOH-2-methylheptyl) phthalate ChEBI Last Modified 29 July 2016