Structure database (LMSD)

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LM IDLMFA02000355
Common Name10-hydroxy-9Z,12Z-octadecadienoic acid
Systematic Name10-hydroxyoctadeca-9Z,12Z-dienoic acid
Synonyms10-hydroxyoctadeca-9Z,12Z-dienoic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
AbbrevFA 18:2;O
PubChem CID101967436
InChIKeyOXCUTPXSTORRTP-XYWKCAQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,15,19H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
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SMILES
C(/O)(=C\CCCCCCCC(O)=O)\C/C=C\CCCCC
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StatusActive
ReferencesPolyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria. Jun Ogawa, Eiji Sakuradani, Shigenobu Kishino, Akinori Ando, Kenzo Yokozeki and Sakayu Shimizu. European Journal of Lipid Science and Technology. Special Issue: Euro Fed Lipid Highlights. Volume 114, Issue 10. , October 2012, pp. 1107-1113.

https://onlinelibrary.wiley.com/doi/full/10.1002/ejlt.201200069
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