Structure database (LMSD)

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LM IDLMFA01031110
Common Name20Z-nonacosenoic acid
Systematic Name20Z-nonacosenoic acid
Synonyms20-nonacosenoic acid, (20Z)-; (Z)-20-Nonacosenoic acid
Exact Mass
436.4280 (neutral)    Calculate m/z:
FormulaC29H56O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID92033282
PlantFA ID10942
InChIKeyQNBWRUDREZEBQP-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h9-10H,2-8,11-28H2,1H3,(H,30,31)/b10-9-
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SMILES
C(CCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
522.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP10.40Molar
Refractivity
137.87