Structure database (LMSD)

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LM IDLMFA01170036
Common NameJapanic acid
Systematic NameHeneicosa-1,21-dioic acid
SynonymsHeneicosanedioic acid; Japonic acid
Exact Mass
356.2927 (neutral)    Calculate m/z:
FormulaC21H40O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID3998
PubChem CID9543668
PlantFA ID10248
InChIKeyPWLXTFFHCFWCGG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(2
4)25/h1-19H2,(H,22,23)(H,24,25)
SMILESC(CCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
401.74Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.57Molar
Refractivity
102.99