Structure database (LMSD)

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LM IDLMFA01170042
Common NameEquisetolic acid
Systematic NameTriacontanedioic acid
Synonyms-
Exact Mass
482.4335 (neutral)    Calculate m/z:
FormulaC30H58O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID6528
PubChem CID5322010
PlantFA ID10250
InChIKeyJADFUOUIMWDTFX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-1
4-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)
SMILESC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
557.44Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP10.08Molar
Refractivity
144.55