Structure database (LMSD)

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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]
LIPIDBANK IDDFA0033
PubChem Substance ID (SID)7849686
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyHQRWEDFDJHDPJC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-2
6-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)
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    
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