Structure Database (LMSD)

Common Name
14,15-DiHETE
Systematic Name
(+/-)-14,15-dihydroxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060077
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
BLWCDFIELVFRJY-QXBXTPPVSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 99.84

Admin

Created at
-
Updated at
-