Structure Database (LMSD)

Common Name
Termitomycamide C
Systematic Name
3-methyl-1-[3-[(octadeca-9Z,12Z-dienoyl)amino]propyl]pyridin-1-ium-4-carboxylic acid
Synonyms
LM ID
LMFA08020462
Formula
C28H45N2O3
Exact Mass
Calculate m/z
457.343018
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Termitomyces titanicus (#201775)
Agaricomycetes (#155619)
Termitomycamides A to E, fatty acid amides isolated from the mushroom Termitomyces titanicus, suppress endoplasmic reticulum stress.,
Org Lett, 2010
Pubmed ID: 20936815

String Representations

InChiKey (Click to copy)
OKMBSTLKRRSPTR-NQLNTKRDSA-O
InChi (Click to copy)
InChI=1S/C28H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(31)29-21-18-22-30-23-20-26(28(32)33)25(2)24-30/h7-8,10-11,20,23-24H,3-6,9,12-19,21-22H2,1-2H3,(H-,29,31,32,33)/p+1/b8-7-,11-10-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)NCCC[N+]1C=C(C)C(C(O)=O)=CC=1

Other Databases

PubChem CID
49844329

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 500.91
Topological Polar Surface Area 70.28
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 7.22
Molar Refractivity 137.94

Admin

Created at
16th Dec 2025
Updated at
16th Dec 2025