choline alfoscerate (CHEBI:16870)

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ChEBI Name	choline alfoscerate

ChEBI ID	CHEBI:16870

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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Birgit

Secondary ChEBI IDs	CHEBI:76433, CHEBI:41458, CHEBI:10646, CHEBI:12847, CHEBI:12841, CHEBI:26697, CHEBI:55397, CHEBI:14343

Supplier Information	ChemicalBook:CB7316162, ChemicalBook:CB4316161, eMolecules:489903, ZINC000000331671

Download	Molfile XML SDF

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Wikipedia	License
Quinolinic acid (abbreviated QUIN or QA), also known as pyridine-2,3-dicarboxylic acid, is a dicarboxylic acid with a pyridine backbone. It is a colorless solid. It is the biosynthetic precursor to niacin. Quinolinic acid is a downstream product of the kynurenine pathway, which metabolizes the amino acid tryptophan. It acts as an NMDA receptor agonist. Quinolinic acid has a potent neurotoxic effect. Studies have demonstrated that quinolinic acid may be involved in many psychiatric disorders, neurodegenerative processes in the brain, as well as other disorders. Within the brain, quinolinic acid is only produced by activated microglia and macrophages.
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Formula

C8H20NO6P

Net Charge

Average Mass

257.22130

Monoisotopic Mass

257.10282

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

SMILES

C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Application(s):	parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	choline alfoscerate (CHEBI:16870) has role Escherichia coli metabolite (CHEBI:76971) choline alfoscerate (CHEBI:16870) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) choline alfoscerate (CHEBI:16870) has role human metabolite (CHEBI:77746) choline alfoscerate (CHEBI:16870) has role mouse metabolite (CHEBI:75771) choline alfoscerate (CHEBI:16870) has role neuroprotective agent (CHEBI:63726) choline alfoscerate (CHEBI:16870) has role parasympatholytic (CHEBI:50370) choline alfoscerate (CHEBI:16870) is a sn-glycerol 3-phosphates (CHEBI:26706) choline alfoscerate (CHEBI:16870) is a phosphocholines (CHEBI:36700)

IUPAC Names

(2R)-2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate

2-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium

Synonyms	Sources
(2R)-2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate	IUPAC
alpha-Glycerophosphorylcholine	HMDB
Choline alphoscerate	ChemIDplus
Choline glycerophosphate	ChemIDplus
Cholini glycerophosphas	ChemIDplus
Glicerofosfato de colina	ChemIDplus
Glycerol phosphorylcholine	HMDB
Glycerol-3-phosphatidylcholine	HMDB
glycerol-3-phosphocholine	ChEBI
Glycerophosphate de choline	ChemIDplus
Glycerophosphocholine	ChemIDplus
Glycerophosphocholine	KEGG COMPOUND
Glycerophosphocholine	KEGG COMPOUND
Glycerophosphorylcholine	ChemIDplus
GPCho	HMDB
L-alpha-Glycerophosphocholine	ChemIDplus
L-alpha-Glycerophosphorylcholine	ChemIDplus
L-alpha-Glycerophosphorylcholine	HMDB
L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt	HMDB
sn-3-GPC	MetaCyc
sn-Glycero-3-phosphocholine	ChemIDplus
sn-glycero-3-phosphocholine	ChEBI
sn-glycero-3-phosphocholine	ChEBI
sn-glycerol 3-phosphocholine	UniProt

Manual Xrefs	Databases
627	DrugCentral
Alpha-GPC	Wikipedia
C00670	KEGG COMPOUND
CH5	PDBeChem
D07349	KEGG DRUG
DB04660	DrugBank
HMDB0000086	HMDB
L-1-GLYCERO-PHOSPHORYLCHOLINE	MetaCyc
View more database links

Last Modified

22 February 2017