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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL333714
CHEMBL333714
Compound Name CADAVERINE TARTRATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H6O6

Additional synonyms for CHEMBL333714 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C(O)C(=O)O)C(=O)O
Standard InChI InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9, ...
Download InChI
Standard InChI Key FEWJPZIEWOKRBE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL333714

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
150.1 150.0164 -2.12 3 115.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.07 - -1.08 -5.83 0 10 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL333714. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FEWJPZIEWOKRBE-UHFFFAOYSA-N
PubChem SID: 144212369
Wikipedia Tartaric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL333714



ACToR 147-73-9 87-69-4 526-83-0 133-37-9
Brenda 32028 143618 762 21214 129686
ChEBI 15674
ChemicalBook CB5212873
eMolecules 711729
EPA CompTox Dashboard DTXSID5046986
Human Metabolome Database HMDB0059916 HMDB0062642
IBM Patent System 7F67DC8E8F4129668BEBDD6B688AED8D
KEGG Ligand C00898
Mcule MCULE-5996388251 MCULE-3867000095
Metabolights MTBLC15674
MolPort MolPort-001-779-714
Nikkaji J56.048K
NMRShiftDB 10008687
PubChem 875 21583978
PubChem: Thomson Pharma 15146832
SureChEMBL SCHEMBL848

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