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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1358846
CHEMBL1358846
Compound Name
ChEMBL Synonyms Acetylcarnitine
Max Phase 0
Trade Names
Molecular Formula C9H18NO4+

Additional synonyms for CHEMBL1358846 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
Standard InChI InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H ...
Download InChI
Standard InChI Key RDHQFKQIGNGIED-MRVPVSSYSA-O

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1358846

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
204.3 204.123 0.1 5 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.56 - -4.03 -3.43 0 14 0.51

Structural Alerts

There are 3 structural alerts for CHEMBL1358846. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RDHQFKQIGNGIED-MRVPVSSYSA-O
PubChem SID: 11113462

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1358846



Brenda 126697
ChEBI 15960
IBM Patent System 00562FFDC200B4F7D2AB3A2FE9CC6EEC
KEGG Ligand C02571
Metabolights MTBLC15960
Nikkaji J370.408D J338.743G
PubChem 439756
SureChEMBL SCHEMBL7079427
ZINC ZINC000003644165

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RDHQFKQIGNGIED-MRVPVSSYSA-O spacer
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