Structure database (LMSD)

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LM IDLMFA02000239
Common Name17-hydroxy-linolenic acid
Systematic Name17-hydroxy-6Z,9Z,12Z-octadecatrienoic acid
Synonyms-
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 CID44256502
HMDB IDHMDB11108
InChIKeyNUDXOGPEQRPSKT-MVOZTAHOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,6-9,17,19H,4-5,10-16H2,1H3,(H,20,21)/b3-2-,8-6-,9-7-
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SMILES
C(=C/C/C=C\C/C=C\CCCC(O)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