CHEBI:181403 - Mycorradicin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mycorradicin
ChEBI ID CHEBI:181403
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O4
Net Charge 0
Average Mass 248.278
Monoisotopic Mass 248.10486
InChI InChI=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+
InChIKey UXBCAWHJMZPSBQ-HBPHNZTASA-N
SMILES OC(=O)\C=C\C(=C\C=C\C=C(/C)\C=C\C(O)=O)\C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xrefs Databases
4948234 ChemSpider
C20426 KEGG COMPOUND
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Registry Number Type Source
160162-46-9 CAS Registry Number ChemIDplus