Structure Database (LMSD)
Common Name
6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
Systematic Name
2-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)-6-hydroxybenzoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MBYMHCHZLAJVRK-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C(O)=O)=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
408.39
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.83
Molar Refractivity
113.42
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Created at
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Updated at
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