Structure database (LMSD)

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LM IDLMPK15040006
Common Name6-((Z)-pentadec-8-en-1-yl)salicylic acid
Systematic Name(Z)-2-hydroxy-6-(pentadec-8-en-1-yl)benzoic acid
Synonyms-
Exact Mass
374.2821 (neutral)    Calculate m/z:
FormulaC24H38O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAnacardic acids and derivatives [PK1504]
PubChem CID10384819
InChIKeyNRSDQEWAMHRTMK-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
1S/C24H38O3/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/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9-
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SMILES
C1C=C(CCCCCCC/C=C\CCCCCCCC)C(C(O)=O)=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds16
 van der Waals
Molecular Volume
413.67Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP7.28Molar
Refractivity
113.61