CHEBI:200136 - (+/-)-ethylitaconic acid

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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 (+/-)-ethylitaconic acid
ChEBI ID CHEBI:200136
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:592066, ZINC000004557048
Download Molfile XML SDF
Formula C7H10O4
Net Charge 0
Average Mass 158.153
Monoisotopic Mass 158.05791
InChI InChI=1S/C7H10O4/c1-3-5(7(10)11)4(2)6(8)9/h5H,2-3H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey JYLVYKQVUQBCBP-YFKPBYRVSA-N
SMILES O=C(O)C(=C)[C@@H](C(=O)O)CC
Metabolite of Species Details
Graphis scripta (NCBI:txid71600) See: DOI
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 (+/-)-ethylitaconic acid (CHEBI:200136) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
2-ethyl-3-methylidenebutanedioic acid
Manual Xref Database
11325997 ChemSpider
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