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CHEBI:89898 - 3,4-Methyleneadipic acid

ChEBI IDCHEBI:89898
ChEBI Name3,4-Methyleneadipic acid
Stars
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESC=C(CC(=O)O)C(=C)CC(=O)O
InChIInChI=1S/C8H10O4/c1-5(3-7(9)10)6(2)4-8(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyZPWVTTHIHKYUQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2338430)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-Methyleneadipic acid (CHEBI:89898) is a branched-chain fatty acid (CHEBI:35819)
Synonym  Source
3,4-dimethylidenehexanedioic acidHMDB
Manual XrefsDatabases
HMDB0059756HMDB
Citations