Structure database (LMSD)

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LM IDLMFA01170037
Common NamePhellogenic acid
Systematic NameDocosanedioic acid
SynonymsDocosan-1,22-dioic acid; Felogenic acid
Exact Mass
370.3083 (neutral)    Calculate m/z:
FormulaC22H42O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesDocosanoids[FA04]
LIPIDAT ID3205
PubChem CID244872
PlantFA ID10249
SWISSLIPIDS IDSLM:000389360
InChIKeyDGXRZJSPDXZJFG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-2
2(25)26/h1-20H2,(H,23,24)(H,25,26)
SMILESC(CCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
419.04Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.96Molar
Refractivity
107.61