| Number |
mr1364 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
258.1111 |
| Exact mass(Da) |
258.1101 |
| Accurate mass error(ppm) |
3.87 |
| Molecular formula |
C8H20NO6P |
| Ionization model |
protonated |
| Ret. Time(min) |
1.58 |
| Precursor ions(Q1) |
258.1111 |
| Product ions(Q3) |
104.2 |
| Main fragments |
104.2, 240.2, 184.2, 125.1, 99.1 |
| Compound |
sn-Glycero-3-phosphocholine |
| Identification |
standard |
| class |
Fatty acid |
| Organism |
|
| Reference |
|
| CV(%) |
89.42 |
| H2 |
0.37 |
| ChEBI_ID |
CHEBI:16870 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
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| BioModels Database Links |
|
| CAS Registry Numbers |
28319-77-9;; |
| COMe Database Links |
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| ChEBI ID |
|
| ChEBI Name |
choline alfoscerate;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
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| Definition |
A member of the class of phosphocholines that is the choline ester of sn-glycero-3-phosphate. It is one of the major osmolyte in the renal medullary cells.;; |
| DrugBank Database Links |
DB04660;; |
| Formulae |
C8H20NO6P;; |
| Gmelin Registry Numbers |
|
| INN |
choline alfoscerate;; |
| IUPAC Names |
2-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium;;(2R)-2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate;; |
| InChI |
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1;; |
| InChIKey |
SUHOQUVVVLNYQR-MRVPVSSYSA-N;; |
| IntAct Database Links |
EBI-8874564;; |
| IntEnz Database Links |
EC 3.3.2.2;;EC 3.1.4.38;;EC 3.1.4.2;;EC 3.1.1.5;; |
| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
257.22130;; |
| MolBase Database Links |
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| PDBeChem Database Links |
|
| Patent Database Links |
WO2007124465;;GB2057872;;EP1992322;; |
| PubChem Database Links |
92741042;;8145747;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9326834;;7857969;;2827914;;2817347;;24166560;;24156263;;24027187;;23528493;;2347393;;23387341;;23314552;;23268258;;23244432;;22959283;;22679745;;22677751;;22191561;;2150771;;21195433;;21165396;;20300169;;2002884;;19212411;;1663712;;16043031;;15936878;;156 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-1483116;;R-HSA-1482696;;R-HSA-1482685;;R-HSA-1482629;;R-HSA-1482612;; |
| Rhea Database Links |
RHEA:44708;;RHEA:44652;;RHEA:42364;;RHEA:41352;;RHEA:40975;;RHEA:40959;;RHEA:40907;;RHEA:40903;;RHEA:40899;;RHEA:40887;;RHEA:40879;;RHEA:40835;;RHEA:40831;;RHEA:40827;;RHEA:40807;;RHEA:40435;;RHEA:32991;;RHEA:32911;;RHEA:32907;;RHEA:22544;;RHEA:19545;;RHE |
| SABIO-RK Database Links |
2628;;2497;;1318;; |
| SMILES |
C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO;; |
| Secondary ChEBI ID |
CHEBI:14343;;CHEBI:55397;;CHEBI:26697;;CHEBI:12841;;CHEBI:12847;;CHEBI:10646;;CHEBI:41458;;CHEBI:76433;; |
| Star |
3;; |
| Synonyms |
sn-glycero-3-phosphocholine;;sn-3-GPC;;glycerol-3-phosphocholine;;alpha-Glycerophosphorylcholine;;a-Glycerylphosphorylcholine;;a-Glycerophosphorylcholine;;L-alpha-Glycerophosphocholine;;L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt |
| UM-BBD compID Database Links |
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| UniProt Database Links |
Q9ZV87;;Q9Y7N6;;Q9UWF6;;Q9UVX1;;Q9UTH5;;Q9USJ4;;Q9U969;;Q9TT38;;Q9P8P4;;Q9P8P2;;Q9P327;;Q9NZC3;;Q9NPB8;;Q9NP80;;Q9JL56;;Q9JL55;;Q9HCC8;;Q9ESM6;;Q9DK03;;Q9C104;;Q99289;;Q93MW7;;Q911P0;;Q90037;;Q8WTR4;;Q8TG07;;Q8TG06;;Q8SVN8;;Q8S8S2;;Q8NF37;;Q8N661;;Q8L7R3; |
| ChEBI Image |
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