Structure database (LMSD)

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LM IDLMFA01060149
Common Name17-oxo-20Z-hexacosenoic acid
Systematic Name17-oxo-20Z-hexacosenoic acid
Synonyms-
Exact Mass
408.3603 (neutral)    Calculate m/z:
FormulaC26H48O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID5975
PubChem CID5312936
PlantFA ID10375
InChIKeyKBDNHCBOCXMQNL-SSZFMOIBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-1
8-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)/b16-13-
SMILESC(CCCCCCCCCCCCCCCC(=O)CC/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
476.81Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP8.41Molar
Refractivity
124.41