CHEBI:165633 - Ethyl hydrogen fumarate

ChEBI IDCHEBI:165633
ChEBI NameEthyl hydrogen fumarate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyXLYMOEINVGRTEX-ARJAWSKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Ethyl hydrogen fumarate (CHEBI:165633) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(Z)-4-ethoxy-4-oxobut-2-enoic acid
Manual XrefsDatabases
4510650ChemSpider
HMDB0040207HMDB
LMFA07010876LIPID MAPS
NF3PDBeChem
Registry NumbersSources
CAS:3990-03-2ChemIDplus