Structure database (LMSD)

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LM IDLMFA01060223
Common Name10-oxo-11E-octadecenoic acid
Systematic Name10-oxo-11E-octadecenoic acid
Synonyms10-oxo-11E-octadecenoic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
AbbrevFA 18:2;O
PubChem CID10308378
InChIKeySBQFPIFSENQOQP-SDNWHVSQSA-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/h11,14H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
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SMILES
C(/CCCCCC)=C\C(=O)CCCCCCCCC(=O)O
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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 Bonds15
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.29Molar
Refractivity
87.48