Structure database (LMSD)

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LM IDLMFA02000315
Common Name15-Hydroxy-9Z,15Z-octadecadienoic acid
Systematic Name15-Hydroxy-9Z,15Z-octadecadienoic acid
Synonyms15-Hydroxy-Z,Z-9,15-octadecadienoic acid; 15-Hydroxy-Z,Z-9,15-octadecadienoic
acid; 15-Hydroxyoctadeca-9c,15c-dienoic 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
PubChem CID131839811
PlantFA ID10490
InChIKeyMYPYRFSQQKRVDW-DXDNVFLHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+
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SMILES
C(CCCCCCC/C=C\CCCC/C(/O)=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
 logP5.77Molar
Refractivity
88.57