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CHEBI:86387 - 3-methyladipate(2−)

ChEBI IDCHEBI:86387
ChEBI Name3-methyladipate(2−)
Stars
ASCII Name3-methyladipate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methyladipic acid.
Last Modified16 September 2021
Submitternamrata
DownloadsMolfile
FormulaC7H10O4
Net Charge-2
Average Mass158.153
Monoisotopic Mass158.05901
SMILESCC(CCC(=O)[O-])CC(=O)[O-]
InChIInChI=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
InChIKeySYEOWUNSTUDKGM-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24023812)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-methyladipic acid (CHEBI:68503) is conjugate acid of 3-methyladipate(2−) (CHEBI:86387)
IUPAC Name 
3-methylhexanedioate
Citations