Structure database (LMSD)

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LM IDLMFA01010029
Common Name-
Systematic Namenonacosanoic acid
SynonymsC29:0
Exact Mass
438.4437 (neutral)    Calculate m/z:
FormulaC29H58O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0029
PubChem Compound ID (CID)20245
HMDB IDHMDB02230
PlantFA ID10531
InChIKeyIHEJEKZAKSNRLY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds27
 van der Waals
Molecular Volume
525.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP10.62Molar
Refractivity
137.97    
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