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CHEBI:181403 - Mycorradicin

ChEBI IDCHEBI:181403
ChEBI NameMycorradicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCC(/C=C/C(=O)O)=C\C=C\C=C(C)\C=C\C(=O)O
InChIInChI=1S/C14H16O4/c1-11(7-9-13(15)16)5-3-4-6-12(2)8-10-14(17)18/h3-10H,1-2H3,(H,15,16)(H,17,18)/b4-3+,9-7+,10-8+,11-5+,12-6+
InChIKeyUXBCAWHJMZPSBQ-HBPHNZTASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mycorradicin (CHEBI:181403) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
Manual XrefsDatabases
4948234ChemSpider
C20426KEGG COMPOUND
Registry NumbersSources
CAS:160162-46-9ChemIDplus