DOCOSAPENTAENOIC ACID

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII NS3OZT14QT

Structure

InChI Key YUFFSWGQGVEMMI-JLNKQSITSA-N
Smiles CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34O2
Molecular Weight 330.51
AlogP 6.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEBI 53488
ChEMBL CHEMBL496634
FDA SRS NS3OZT14QT
Human Metabolome Database HMDB0006528
KEGG C16513
SureChEMBL SCHEMBL20748
ZINC ZINC000008860491
CONTENTS