Structure database (LMSD)

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LM IDLMFA02000189
Common Name12R-HODE
Systematic Name12R-hydroxy-9Z,15Z-octadecadienoic acid
Synonyms9,15-Octadecadienoic acid, 12-hydroxy-, [R-(Z,Z)]-; Densipolic acid (7CI); (+)-
Densipolic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 18:2;O
LIPIDAT ID4797
PubChem CID5312831
CHEBI ID165769
PlantFA ID10280
InChIKeyOKIDIWHWTIMACU-MNEPGTOVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-/t17-/m1/s1
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SMILES
C(CCCCCCC/C=C\C[C@H](O)CC/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.14Molar
Refractivity
88.90