CHEBI:86387 - 3-methyladipate(2−)

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ChEBI Name 3-methyladipate(2−) ChEBI ID CHEBI:86387 ChEBI ASCII Name 3-methyladipate(2-) Definition A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methyladipic 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 C7H10O4 Net Charge -2 Average Mass 158.15300 Monoisotopic Mass 158.05901 InChI InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/p-2 InChIKey SYEOWUNSTUDKGM-UHFFFAOYSA-L SMILES CC(CCC([O-])=O)CC([O-])=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methyladipate(2−) (CHEBI:86387) has role human urinary metabolite (CHEBI:84087) 3-methyladipate(2−) (CHEBI:86387) is a 3-methyladipate (CHEBI:132959) 3-methyladipate(2−) (CHEBI:86387) is a dicarboxylic acid dianion (CHEBI:28965) 3-methyladipate(2−) (CHEBI:86387) is conjugate base of 3-methyladipic acid (CHEBI:68503) Incoming 3-methyladipic acid (CHEBI:68503) is conjugate acid of 3-methyladipate(2−) (CHEBI:86387) IUPAC Name 3-methylhexanedioate Citation Type Source 24023812 PubMed citation Europe PMC Last Modified 16 September 2021