Structure Database (LMSD)

Common Name
Docosanamide
Systematic Name
docosanamide
Synonyms
LM ID
LMFA08010020
Formula
C22H45NO
Exact Mass
Calculate m/z
339.350114
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]

String Representations

InChiKey (Click to copy)
ORAWFNKFUWGRJG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCC)N

Other Databases

HMDB ID
HMDB0000583
CHEBI ID
165591
PubChem CID
76468

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 406.31
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.29
Molar Refractivity 107.21

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Created at
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Updated at
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