VITAMIN A PALMITATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 1D1K0N0VVC
EPA CompTox DTXSID1021241

Structure

InChI Key VYGQUTWHTHXGQB-FFHKNEKCSA-N
Smiles CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H60O2
Molecular Weight 524.87
AlogP 11.54
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 20.0
Polar Surface Area 26.3
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77.04-85.92
Unclassified protein
- - - - 91-95
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 77.04-85.92
Escherichia coli
- - - - 91-95

Cross References

Resources Reference
ChEBI 17616
ChEMBL CHEMBL1675
DrugCentral 4197
FDA SRS 1D1K0N0VVC
Human Metabolome Database HMDB0003648
KEGG C02588
PubChem 5280531
SureChEMBL SCHEMBL41649
ZINC ZINC000008214494
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