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CHEBI:89935 - 3,4-Methylenesebacic acid

Default Structure
ChEBI IDCHEBI:89935
ChEBI Name3,4-Methylenesebacic acid
Stars
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESC=C(CCCCCC(=O)O)C(=C)CC(=O)O
InChIInChI=1S/C12H18O4/c1-9(10(2)8-12(15)16)6-4-3-5-7-11(13)14/h1-8H2,(H,13,14)(H,15,16)
InChIKeyYVOCTABTPCVYNG-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-Methylenesebacic acid (CHEBI:89935) is a branched-chain fatty acid (CHEBI:35819)
Synonym  Source
3,4-dimethylidenedecanedioic acidHMDB
Manual XrefsDatabases
HMDB0059729HMDB
Citations