FUMARIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC D05AX01
UNII 88XHZ13131
EPA CompTox DTXSID3021518

Structure

InChI Key VZCYOOQTPOCHFL-OWOJBTEDSA-N
Smiles O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O4
Molecular Weight 116.07
AlogP -0.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 25
Enzyme
- - - - 25
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 9.5-25

Cross References

Resources Reference
ChEBI 18012
ChEMBL CHEMBL503160
DrugBank DB01677
DrugCentral 3229
FDA SRS 88XHZ13131
Human Metabolome Database HMDB0000176
KEGG C00122
PDB FUM
PubChem 444972
SureChEMBL SCHEMBL1177
ZINC ZINC000003860193
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