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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117021
CHEMBL117021
Compound Name LYSOPHOSPHATIDIC ACID
ChEMBL Synonyms 1-Oleoyl Lysophosphatidic Acid | Lysophosphatidic Acid
Max Phase 0
Trade Names
Molecular Formula C21H41O7P

Additional synonyms for CHEMBL117021 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
Standard InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-1 ...
Download InChI
Standard InChI Key WRGQSWVCFNIUNZ-GDCKJWNLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117021

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
436.5 436.259 5.96 21 123.1 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.82 - 4.7 .42 0 29 0.09

Structural Alerts

There are 14 structural alerts for CHEMBL117021. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRGQSWVCFNIUNZ-GDCKJWNLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117021



BindingDB 50148348
Brenda 201139 90575 125698 165672 165755 101216 3772 35038 158428 111786 196408 42921 160549 17872 156685
ChEBI 62837
eMolecules 26988471
Human Metabolome Database HMDB0007855
LipidMaps LMGP10050008
Metabolights MTBLC62837
MolPort MolPort-009-019-282
PubChem 5311263
PubChem: Thomson Pharma 85159478
SureChEMBL SCHEMBL1560791
ZINC ZINC000008860530

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