12-HYDROXYEICOSATETRAENOIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WG8M7C9ALT
EPA CompTox DTXSID001028839

Structure

InChI Key ZNHVWPKMFKADKW-FYMOKONMSA-N
Smiles CCCCCC=C/CC(O)C=C/C=CCC=CCCCC(O)=O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O3
Molecular Weight 320.24
AlogP 5.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 57.53
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 54397-83-0
NORMAN SUSDAT
FDA SRS WG8M7C9ALT
CONTENTS