Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01010033
Common NamePsyllic acid (W)
Systematic Nametritriacontanoic acid
SynonymsCeromelissic acid; C33:0
Exact Mass
494.5063 (neutral)    Calculate m/z:
FormulaC33H66O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
AbbrevFA 33:0
LIPIDBANK IDDFA0033
PubChem CID181572
PlantFA ID10178
InChIKeyHQRWEDFDJHDPJC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)
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SMILES
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume		594.40Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP12.18Molar
Refractivity		156.44