Structure database (LMSD)

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LM IDLMPK15040008
Common Name6-((Z)-pentadec-10-en-1-yl)salicylic acid
Systematic Name(Z)-2-hydroxy-6-(pentadec-10-en-1-yl)benzoic acid
Synonyms-
Exact Mass
346.2508 (neutral)    Calculate m/z:
FormulaC22H34O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAnacardic acids and derivatives [PK1504]
PubChem CID13873062
InChIKeyUEOBFNCQTNUCCY-WAYWQWQTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h5-6,15,17-18,23H,2-4,7-14,16H2,1H3,(H,24,25)/b6-5-
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SMILES
C1C=C(CCCCCCCCC/C=C\CCCC)C(C(O)=O)=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
379.07Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP6.50Molar
Refractivity
104.37