Structure database (LMSD)

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LM IDLMFA01050530
Common NameTetracosanoic acid, 15,16-dihydroxy-, methyl ester
Systematic NameMethyl 15,16-dihydroxy-tetracosanoate
Synonyms-
Exact Mass
414.3709 (neutral)    Calculate m/z:
FormulaC25H50O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem CID131839775
PlantFA ID10482
InChIKeyANKIJNMJOZDVJY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-
19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
SMILESC(CCCCCCCCCCCCCC(O)C(O)CCCCCCCC)(=O)OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
473.58Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP7.28Molar
Refractivity
123.07