Structure database (LMSD)

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LM IDLMFA02000301
Common Name13-Hydroxy-3E,9Z,11E-octadecatrienoic acid
Systematic Name13-Hydroxy-3E,9Z,11E-octadecatrienoic acid
Synonyms13-Hydroxy-3,9,11-octadecatrienoic acid, (E,Z,E)-; 13-Hydroxy-3t,9c,11t-
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 CID131839805
PlantFA ID10584
InChIKeyCAIMZJYSCLVTDV-KJLLYAGXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9-10,12-13,15,17,19H,2-6,8,11,14,16H2,1H3,(H,20,21)/b9-7-,13-10+,15-12+
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SMILES
C(C/C=C/CCCC/C=C\C=C\C(O)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