CHEBI:181644 - Piliformic-acid

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ChEBI Name Piliformic-acid
ChEBI ID CHEBI:181644
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18O4
Net Charge 0
Average Mass 214.261
Monoisotopic Mass 214.12051
InChI InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)/b9-7+/t8-/m0/s1
InChIKey YTUQECDNJQCQAE-INTFFVIUSA-N
SMILES OC(=O)[C@H](/C(=C\CCCCC)/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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Piliformic-acid (CHEBI:181644) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,3S)-2-hexylidene-3-methylbutanedioic acid