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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1162495
CHEMBL1162495
Compound Name GLUTARATE
ChEMBL Synonyms Glutarate
Max Phase 0
Trade Names
Molecular Formula C5H8O4

Additional synonyms for CHEMBL1162495 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCC(=O)O
Standard InChI InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
Standard InChI Key JFCQEDHGNNZCLN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1162495

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
132.1 132.0423 0.1 4 74.59 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.33 - -.56 -5.16 0 9 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL1162495. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JFCQEDHGNNZCLN-UHFFFAOYSA-N
PubChem SID: 144209646 SID: 144213188
Wikipedia Glutaric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1162495



ACToR 68937-69-9 68603-87-2 110-94-1
Brenda 545 94669 3471 107010 109405 51734
ChEBI 17859
DrugBank DB03553
eMolecules 515060
EPA CompTox Dashboard DTXSID2021654
FDA SRS H849F7N00B
Human Metabolome Database HMDB0000661
IBM Patent System 07422CF7F4F382F5279EA9B4E45ADFF4
KEGG Ligand C00489
Mcule MCULE-4286022994
Metabolights MTBLC17859
MolPort MolPort-001-759-254
Nikkaji J40.077G
NMRShiftDB 10016798
PDBe GUA
PubChem 743 23322899
PubChem: Thomson Pharma 15213255
SureChEMBL SCHEMBL7414
ZINC ZINC000000388706

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