Structure Database (LMSD)

Common Name
Behenic acid
Systematic Name
docosanoic acid
Synonyms
  • C22:0
LM ID
LMFA01010022
Formula
C22H44O2
Exact Mass
Calculate m/z
340.33413
Sum Composition
FA 22:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]
Docosanoids [FA04]

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
UKMSUNONTOPOIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/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,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCC

Other Databases

Wikipedia
Behenic acid
KEGG ID
C08281
HMDB ID
HMDB0000944
CHEBI ID
28941
LIPIDBANK ID
DFA0022
PubChem CID
8215
PlantFA ID
10147
SwissLipids ID
SLM:000000827
Cayman ID
9000338
PDB ID
EO3

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 404.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.89
Molar Refractivity 105.65

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Created at
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Updated at
25th Apr 2022