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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL470062
CHEMBL470062
Compound Name TRAUMATIC ACID
ChEMBL Synonyms Traumatic Acid
Max Phase 0
Trade Names
Molecular Formula C12H20O4

Additional synonyms for CHEMBL470062 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCCCCCC\C=C\C(=O)O
Standard InChI InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7 ...
Download InChI
Standard InChI Key MAZWDMBCPDUFDJ-VQHVLOKHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL470062

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
228.3 228.1362 2.83 10 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
4.78 - 2.69 -1.93 0 16 0.45

Structural Alerts

There are 12 structural alerts for CHEMBL470062. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MAZWDMBCPDUFDJ-VQHVLOKHSA-N
Wikipedia Traumatic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL470062



ACToR 6402-36-4
ChEBI 545687
eMolecules 485647
FDA SRS L7ND24937H
Human Metabolome Database HMDB0000933
KEGG Ligand C16308
LipidMaps LMFA01170002
Mcule MCULE-8276752366
MolPort MolPort-003-927-207
Nikkaji J208.287J J5.789D
PubChem 5283028
PubChem: Thomson Pharma 15172326
SureChEMBL SCHEMBL38779
ZINC ZINC000001586420

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