| Number |
qtl-m1162 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
184 |
| Product ions(Q3) |
125 |
| Main fragments |
|
| Compound |
O-Phosphocholine |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:18132 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1784889;; |
| BioModels Database Links |
BIOMD0000000495;;BIOMD0000000303;; |
| CAS Registry Numbers |
3616-04-4;;107-73-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
phosphocholine;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The phosphate of choline; and the parent compound of the phosphocholine family.;; |
| DrugBank Database Links |
DB03945;; |
| Formulae |
C5H15NO4P;; |
| Gmelin Registry Numbers |
2594827;; |
| INN |
|
| IUPAC Names |
N,N,N-trimethyl-2-(phosphonooxy)ethanaminium;; |
| InChI |
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1;; |
| InChIKey |
YHHSONZFOIEMCP-UHFFFAOYSA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
184.15070;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008124749;;WO2007137040;;WO2007096745;;WO2005084395;;US2008035243;;US2004235949;;US2003149097;;US2003133904;;US2002025920;;US2001036927;;EP0965584;;EP0965583;; |
| PubChem Database Links |
8145419;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8499247;;8386814;;8241291;;8067249;;7855483;;7727625;;7450902;;6790611;;6420466;;2817347;;25935;;24027187;;24023812;;24012478;;23572077;;2356441;;2002884;;19758165;;19748321;;19369878;;18684852;;16345080;;16043031;;15583011;;15472384;;15465626;;15267227;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-193706;;R-HSA-1640164;;R-HSA-1606288;;R-HSA-1606273;;R-HSA-1605797;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
7114;;7113;;7112;;7111;;7109;;6446;;6444;;2497;;2460;;2059;;1949;;1526;;1310;;12117;; |
| SMILES |
C[N+](C)(C)CCOP(O)(O)=O;; |
| Secondary ChEBI ID |
CHEBI:13986;;CHEBI:23214;;CHEBI:12720;;CHEBI:44707;;CHEBI:3667;; |
| Star |
3;; |
| Synonyms |
[2-(trimethylazaniumyl)ethoxy]phosphonic acid;;Trimethyl(2-(phosphonooxy)ethyl)ammonium;;Phosphoryl-choline;;O-phosphocholine;;N-Trimethyl-2-aminoethylphosphonate;;Choline phosphate;;ChoP;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZV87;;Q9ZV56;;Q9Y6K0;;Q9Y5K3;;Q9Y259;;Q9Y1U9;;Q9VZS6;;Q9VVX5;;Q9URV1;;Q9UAY4;;Q9U6X1;;Q9SZ92;;Q9SRQ7;;Q9SB68;;Q9S816;;Q9RLV9;;Q9RGS8;;Q9RF12;;Q9QZC4;;Q9NY59;;Q9NXE4;;Q9NPB8;;Q9M9H6;;Q9M571;;Q9LVZ7;;Q9LVZ6;;Q9JJY3;;Q9GL25;;Q9FR44;;Q9ET64;;Q9D9M5;;Q9CAN8; |
| ChEBI Image |
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