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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL539648
CHEMBL539648
Compound Name MALEIC ACID
ChEMBL Synonyms Maleic Acid
Max Phase 0
Trade Names
Molecular Formula C4H4O4

Additional synonyms for CHEMBL539648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)\C=C/C(=O)O
Standard InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
Standard InChI Key VZCYOOQTPOCHFL-UPHRSURJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL539648

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
116.1 116.011 -0.29 2 74.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.39 - -.45 -5.16 0 8 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL539648. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VZCYOOQTPOCHFL-UPHRSURJSA-N
PubChem SID: 144206656 SID: 144209391 SID: 144213362 SID: 170465983 SID: 17389671 SID: 57268340
Wikipedia Maleic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL539648



ACToR 68307-91-5
Brenda 575 4029
ChEBI 18300
DrugBank DB04299
eMolecules 496442
EPA CompTox Dashboard DTXSID8021517
FDA SRS 91XW058U2C
Guide to Pharmacology 9630
IBM Patent System 48412D59B8953C8BFF50B35ED55F1063
KEGG Ligand C01384
Metabolights MTBLC18300
MolPort MolPort-000-871-627
Nikkaji J2.446E
NMRShiftDB 8411
PDBe MAE
PubChem 444266
PubChem: Thomson Pharma 14747527
SureChEMBL SCHEMBL613
ZINC ZINC000012358683

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VZCYOOQTPOCHFL-UPHRSURJSA-N spacer
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