Structure Database (LMSD)
Common Name
12S-HpETE
Systematic Name
12S-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060013
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 12S-HpETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(=C/C/C=C\CCCC(=O)O)/C=C/[C@@H](OO)C/C=C\CCCCC
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR6002
PubChem CID
SwissLipids ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
376.52
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.14
Molar Refractivity
99.30
Admin
Created at
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Updated at
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