CHEBI:165633 - Ethyl hydrogen fumarate

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ChEBI Name Ethyl hydrogen fumarate
ChEBI ID CHEBI:165633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C6H8O4
Net Charge 0
Average Mass 144.126
Monoisotopic Mass 144.04226
InChI InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-
InChIKey XLYMOEINVGRTEX-ARJAWSKDSA-N
SMILES O(CC)C(=O)/C=C\C(O)=O
ChEBI Ontology
Outgoing Ethyl hydrogen fumarate (CHEBI:165633) is a fatty acid ester (CHEBI:35748)
IUPAC Name
(Z)-4-ethoxy-4-oxobut-2-enoic acid
Manual Xrefs Databases
4510650 ChemSpider
HMDB0040207 HMDB
LMFA07010876 LIPID MAPS
NF3 PDBeChem
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Registry Number Type Source
3990-03-2 CAS Registry Number ChemIDplus