Molecular Identity
fumaric acid
(E)-but-2-enedioic acid
PubChem CID: 444972
Fumaric acid is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a geroprotector, a food acidity regulator and a fundamental metabolite. It is a conjugate acid of a fumarate(1-).
2D Structure
Properties
C4H4O4
Molecular Formula
116.07
Molecular Weight
g/mol
116.0110
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
119
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
fumaric acid110-17-8trans-Butenedioic acidAllomaleic acidLichenic acidBoletic acid(2E)-but-2-enedioic acidTumaric acidtrans-1,2-Ethylenedicarboxylic acid(E)-2-Butenedioic acidAllomalenic acidtrans-2-Butenedioic acidFumaricum acidum2-Butenedioic acid, (E)-Kyselina fumarova
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to fumaric acid
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