Structure Database (LMSD)

Common Name
Psyllic acid
Systematic Name
tritriacontanoic acid
Synonyms
  • Ceromelissic acid
  • C33:0
LM ID
LMFA01010033
Formula
C33H66O2
Exact Mass
Calculate m/z
494.50628
Sum Composition
FA 33:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
HQRWEDFDJHDPJC-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCC

Other Databases

Wikipedia
Psyllic_acid
CHEBI ID
165446
LIPIDBANK ID
DFA0033
PubChem CID
181572
PlantFA ID
10178

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.18
Molar Refractivity 156.44

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Created at
-
Updated at
25th Apr 2022