Details of Metabolite

General Information of MET (ID: META01183)
Name GPE(P-16:0/18:2)
Synonyms   Click to Show/Hide Synonyms of This Metabolite
CHEBI:133649; 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE; 1-(1-Enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*; 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2); 1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion; 1-(1Z-hexadecenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion; 1-[(1Z)-hexadecenyl]-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion; 2-azaniumylethyl (2R)-3-{[(1Z)-hexadec-1-en-1-yl]oxy}-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl phosphate
Structure Type Lipid-related molecules
PubChem CID
122198211
Formula
C39H74NO7P
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=122198211"></iframe>
3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 700 Topological Polar Surface Area 122
XlogP 12.5 Complexity 825
Heavy Atom Count 48 Rotatable Bond Count 38
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
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 GPE(P-16:0/18:2) concentration: increase
                      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 gPE(P-16:0/18:2) 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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