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CHEBI:167756 - 3-tert-butyladipic acid

ChEBI IDCHEBI:167756
ChEBI Name3-tert-butyladipic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O4
Net Charge0
Average Mass202.250
Monoisotopic Mass202.12051
SMILESCC(C)(C)C(CCC(=O)O)CC(=O)O
InChIInChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLHSCNQRBIIDZCB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-tert-butyladipic acid (CHEBI:167756) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
3-tert-butylhexanedioic acid
Manual XrefsDatabases
89392ChemSpider
Registry NumbersSources
CAS:10347-88-3ChemIDplus