Structure Database (LMSD)
Common Name
EHHDA
Systematic Name
11,12-epoxy-10-hydroxy-8E-heptadecenoic acid
Synonyms
LM ID
LMFA01070055
Formula
Exact Mass
Calculate m/z
298.214411
Sum Composition
Status
Curated
3D model of EHHDA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
AIMIYBFEZJBNFT-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C17H30O4/c1-2-3-8-12-15-17(21-15)14(18)11-9-6-4-5-7-10-13-16(19)20/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3,(H,19,20)/b11-9+
SMILES (Click to copy)
C(CCCCCC/C=C/C(O)C1OC1CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
320.18
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.54
Molar Refractivity
84.82
Admin
Created at
19th Aug 2025
Updated at
19th Aug 2025