Structure database (LMSD)

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LM IDLMFA02000054
Common NameAvenoleic acid
Systematic Name15R-hydroxy-9Z,12Z-octadecadienoic acid
Synonyms-
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]
PubChem CID45934094
InChIKeyMZQXAWAWDWCIKG-SPSBLGDNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10
,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1
SMILESC(CCCCCCC/C=C\C/C=C\C[C@H](O)CCC)(=O)O
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