Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK15040005
Common Name6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
Systematic Name2-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)-6-hydroxybenzoic acid
Synonyms-
Exact Mass
370.2508 (neutral)    Calculate m/z:
FormulaC24H34O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAnacardic acids and derivatives [PK1504]
PubChem CID10067772
InChIKeyMBYMHCHZLAJVRK-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
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-
Click to highlight InChI
SMILES
C1C=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C(O)=O)=C(O)C=1
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
408.39Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP6.83Molar
Refractivity
113.42