Details of Metabolite

General Information of MET (ID: META00742)
Name Phosphatidylcholine O-34:2
Synonyms   Click to Show/Hide Synonyms of This Metabolite
O,O-Diethyl S-(ethylthio)methyl phosphorodithioate; O,O-Diethyl S-(ethylthio)methyl phosphorodithioic acid; O,O-Diethyl S-[(ethylsulfanyl)methyl] dithiophosphate; O,O-Diethyl S-[(ethylsulfanyl)methyl] dithiophosphoric acid; O,O-Diethyl S-[(ethylsulphanyl)methyl] dithiophosphate; O,O-Diethyl S-[(ethylsulphanyl)methyl] dithiophosphoric acid; O,O-Diethyl S-ethylmercaptomethyl dithiophosphate; O,O-Diethyl S-ethylmercaptomethyl dithiophosphoric acid; PHate; PHic acid; PHoric acid; Phosphorodithioate, O,O-diethyl S-((ethylthio)methyl) ester; Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) ester; Thimet; Thimet 10 g; Thimet 10-g; Thimet 10g
Source Endogenous;Agricultural Chemicals;Toxins/Pollutant
Structure Type   Dithiophosphate O-esters  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Organic dithiophosphoric acids and derivatives
Dithiophosphate O-esters
PubChem CID
4790
HMDB ID
HMDB0062577
Formula
C7H17O2PS3
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=4790"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C18690
ChEBI ID
38764
Physicochemical Properties Molecular Weight 260.399 Topological Polar Surface Area 101
XlogP 3.6 Complexity 156
Heavy Atom Count 13 Rotatable Bond Count 8
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 5
Function
Phosphatidylcholine O-34:2, also known as Thimet or O,O-Diethyl S-ethylmercaptomethyl dithiophosphate, is classified as a member of the Dithiophosphate O-esters. Dithiophosphate O-esters are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group). Phosphatidylcholine O-34:2 is a non-carcinogenic (not listed by IARC) potentially toxic compound
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            Hypoxia-inducible factor 1-alpha (HIF1A) 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 HIF1A
                      Induced Change Phosphatidylcholine O-34:2 concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colorectal cancer [ICD-11: 2B91]
                      Details It is reported that knockout of HIF1A leads to the increase of phosphatidylcholine O-34:2 levels compared with control group.
References
1 Hypoxia induces a lipogenic cancer cell phenotype via HIF1-dependent and -independent pathways. Oncotarget. 2015 Feb 10;6(4):1920-41.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.