Details of Metabolite

General Information of MET (ID: META00764)
Name Palmitoylcholine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Choline hexadecanoate; Choline hexadecanoic acid; Choline palmitate; Choline palmitic acid; O-Hexadecanoylcholine; O-Palmitoylcholine; Palmitoylcholine
Source Aliphatic acyclic compounds
Structure Type   Quaternary ammonium salts  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic nitrogen compounds
Organonitrogen compounds
Quaternary ammonium salts
PubChem CID
151731
HMDB ID
HMDB0240592
Formula
C21H44NO2
Structure
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3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
133677
ChemSpider ID
133731
Physicochemical Properties Molecular Weight 342.6 Topological Polar Surface Area 26.3
XlogP 7.5 Complexity 284
Heavy Atom Count 24 Rotatable Bond Count 18
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 2
Function
Palmitoylcholine, also known as choline palmitate or hexadecanoylcholine, belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Palmitoylcholine has been identified in blood and the human placenta.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transferases (EC 2)
            Arylamine N-acetyltransferase 1 (NAT1) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Knockout of NAT1
                      Induced Change Palmitoylcholine concentration: increase (FC = 9.7)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Breast cancer [ICD-11: 2C60]
                      Details It is reported that knockout of NAT1 leads to the increase of palmitoylcholine levels compared with control group.
References
1 CRISPR/Cas9 knockout of human arylamine N-acetyltransferase 1 in MDA-MB-231 breast cancer cells suggests a role in cellular metabolism. Sci Rep. 2020 Jun 17;10(1):9804.

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