Structure Database (LMSD)
Common Name
9,10-epoxy-13-hydroxy-11-octadecenoic acid
Systematic Name
9,10-epoxy-13-hydroxy-11-octadecenoic acid
Synonyms
LM ID
LMFA02000278
Formula
Exact Mass
Calculate m/z
312.23006
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 9,10-epoxy-13-hydroxy-11-octadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BWLQUNFALXKBSJ-BUHFOSPRSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+
SMILES (Click to copy)
C1(OC1CCCCCCCC(=O)O)/C=C/C(O)CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
337.48
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.93
Molar Refractivity
89.44
Admin
Created at
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Updated at
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