Structure database (LMSD)

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LM IDLMFA02000312
Common Name9-Hydroxy-3,10,12-octadecatrienoic acid
Systematic Name9-Hydroxy-3,10,12-octadecatrienoic acid
Synonyms9-Hydroxy-3,10,12-octadecatrienoic acid, (E,E,Z)-; 9-Hydroxy-3t,10t,12c-
octadecatrienoic acid
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 18:3;O
PubChem CID131839810
PlantFA ID10583
InChIKeyLTOFZIXKIKLRQG-IXYDBLGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,10-11,13-14,17,19H,2-5,7,9,12,15-16H2,1H3,(H,20,21)/b8-6-,13-10+,14-11+
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SMILES
C(C/C=C/CCCCC(O)/C=C/C=C\CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
335.77Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.92Molar
Refractivity
88.80