Structure Database (LMSD)

O NH 2
Common Name
Erucamide
Systematic Name
13Z-docosenamide
Synonyms
LM ID
LMFA08010028
Formula
C22H43NO
Exact Mass
Calculate m/z
337.334464
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
UAUDZVJPLUQNMU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
SMILES (Click to copy)
O=C(CCCCCCCCCCC/C=C\CCCCCCCC)N

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Prymnesium parvum (#97485)
Identification of toxic fatty amides isolated from the harmful alga Prymnesium parvum carter.,
Harmful Algae, 2012
Bos taurus (#9913)
Mammalia (#40674)
Isolation of fatty acid amide as an angiogenic principle from bovine mesentery.,
Biochem Biophys Res Commun, 1990
Pubmed ID: 2334413

Other Databases

CHEBI ID
142245
PubChem CID
5365371
Cayman ID
90377
PDB ID
ERU

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 403.67
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.07
Molar Refractivity 107.11

Admin

Created at
-
Updated at
9th Apr 2021