Structure Database (LMSD)

Common Name
9S-HpODE
Systematic Name
9S-hydroperoxy-10E,12Z-octadecadienoic acid
Synonyms
  • 9-HpODE
LM ID
LMFA02000012
Status
Active
Exact Mass
Calculate m/z
312.23006
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JGUNZIWGNMQSBM-UINYOVNOSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCCC[C@H](OO)/C=C/C=C\CCCCC)(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.81
Molar Refractivity 90.25

Admin

Created at
-
Updated at
-