Structure database (LMSD)

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LM IDLMFA01030418
Common Name16Z-pentacosenoic acid
Systematic Name16Z-pentacosenoic acid
SynonymsC25:1n-9
Exact Mass
380.3654 (neutral)    Calculate m/z:
FormulaC25H48O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID6050
PubChem CID5312567
PlantFA ID10940
InChIKeyQIVQYKLZAIRQLU-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25(26)27/h9-10H,2-8,11-24H2,1H3,(H,26,27)/b10-9-
SMILESC(CCCCCCCCCCCCCC/C=C\CCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
453.36Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.84Molar
Refractivity
119.41