Structure database (LMSD)

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LM IDLMPK15040007
Common Name6-((Z)-14-hydroxypentadec-8-en-1-yl)salicylic acid
Systematic Name(Z)-2-hydroxy-6-(14-hydroxypentadec-8-en-1-yl)benzoic acid
Synonyms-
Exact Mass
362.2457 (neutral)    Calculate m/z:
FormulaC22H34O4
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAnacardic acids and derivatives [PK1504]
PubChem CID126457715
InChIKeyBUUUHHZTSPVKDX-HYXAFXHYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
1S/C22H34O4/c1-18(23)14-11-9-7-5-3-2-4-6-8-10-12-15-19-16-13-17-20(24)21(19)22(25)26/h3,5,13,16-18,23-24H,2,4,6-12,14-15H2,1H3,(H,25,26)/b5-3-
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SMILES
C1C=C(CCCCCCC/C=C\CCCCC(O)C)C(C(O)=O)=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
387.86Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.76Molar
Refractivity
106.27