CDP-choline (CHEBI:16436)

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CHEBI:16436 - CDP-choline

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ChEBI Name	CDP-choline

ChEBI ID	CHEBI:16436

Definition	A member of the class of phosphocholines that is the choline ester of CDP. It is an intermediate obtained in the biosynthetic pathway of structural phospholipids in cell membranes.

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

Secondary ChEBI IDs	CHEBI:41440, CHEBI:13268, CHEBI:3268, CHEBI:20867

Supplier Information	ChemicalBook:CB1300110, eMolecules:3716409

Download	Molfile XML SDF

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2.9029 -3.9326 1.7619 C 0 0 0 0 0 0 0 0 0 0 0 0

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5.1474 -4.4794 1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0

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-2.2895 6.3960 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.4423 6.3185 -1.1647 N 0 3 2 0 0 0 0 0 0 0 0 0

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7.1456 -4.8460 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0

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M CHG 2 24 -1 28 1

M END): 21 ms

reading 57 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

57 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Wikipedia	License
Carbon monoxide (chemical formula CO) is a poisonous, flammable gas that is colorless, odorless, tasteless, and slightly less dense than air. Carbon monoxide consists of one carbon atom and one oxygen atom connected by a triple bond. It is the simplest carbon oxide. In coordination complexes, the carbon monoxide ligand is called carbonyl. It is a key ingredient in many processes in industrial chemistry. The most common source of carbon monoxide is the partial combustion of carbon-containing compounds. Numerous environmental and biological sources generate carbon monoxide. In industry, carbon monoxide is important in the production of many compounds, including drugs, fragrances, and fuels. Indoors CO is one of the most acutely toxic contaminants affecting indoor air quality. CO may be emitted from tobacco smoke and generated from malfunctioning fuel burning stoves (wood, kerosene, natural gas, propane) and fuel burning heating systems (wood, oil, natural gas) and from blocked flues connected to these appliances. Carbon monoxide poisoning is the most common type of fatal air poisoning in many countries. Carbon monoxide has important biological roles across phylogenetic kingdoms. It is produced by many organisms, including humans. In mammalian physiology, carbon monoxide is a classical example of hormesis where low concentrations serve as an endogenous neurotransmitter (gasotransmitter) and high concentrations are toxic resulting in carbon monoxide poisoning. It is isoelectronic with both cyanide anion CN− and molecular nitrogen N2.
Read full article at Wikipedia

Formula

C14H26N4O11P2

Net Charge

Average Mass

488.32412

Monoisotopic Mass

488.10733

InChI

InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1

InChIKey

RZZPDXZPRHQOCG-OJAKKHQRSA-N

SMILES

C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O

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

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Application(s):	psychotropic drug A loosely defined grouping of drugs that have effects on psychological function. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	CDP-choline (CHEBI:16436) has functional parent CDP (CHEBI:17239) CDP-choline (CHEBI:16436) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) CDP-choline (CHEBI:16436) has role human metabolite (CHEBI:77746) CDP-choline (CHEBI:16436) has role mouse metabolite (CHEBI:75771) CDP-choline (CHEBI:16436) has role neuroprotective agent (CHEBI:63726) CDP-choline (CHEBI:16436) has role psychotropic drug (CHEBI:35471) CDP-choline (CHEBI:16436) is a nucleotide-(amino alcohol)s (CHEBI:25604) CDP-choline (CHEBI:16436) is a phosphocholines (CHEBI:36700) CDP-choline (CHEBI:16436) is conjugate base of CDP-choline(1+) (CHEBI:49086)

Incoming	CDP-choline(1+) (CHEBI:49086) is conjugate acid of CDP-choline (CHEBI:16436)

IUPAC Name

5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine

INNs	Sources
citicolina	ChemIDplus
citicolinum	ChemIDplus

Synonyms	Sources
[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM	PDBeChem
CDP-colina	ChemIDplus
Citicoline	KEGG COMPOUND
citidin difosfato de colina	ChemIDplus
cyticholine	ChEBI
Cytidindiphosphocholin	ChemIDplus
cytidine 5'-(choline diphosphate)	ChemIDplus
cytidine 5'-(cholinyl pyrophosphate)	ChemIDplus
Cytidine 5'-diphosphocholine	KEGG COMPOUND
cytidine 5'-diphosphoric choline	ChemIDplus

Manual Xrefs	Databases
664	DrugCentral
C00007231	KNApSAcK
C00307	KEGG COMPOUND
CDC	PDBeChem
Citicoline	Wikipedia
D00057	KEGG DRUG
DB04290	DrugBank
HMDB0001413	HMDB
View more database links

Registry Numbers	Types	Sources
4170138	Reaxys Registry Number	Reaxys
987-78-0	CAS Registry Number	ChemIDplus

Citations	Types	Sources
10701532	PubMed citation	Europe PMC
10796523	PubMed citation	Europe PMC
36524681	PubMed citation	Europe PMC
37196134	PubMed citation	Europe PMC
37449595	PubMed citation	Europe PMC
38478324	PubMed citation	Europe PMC
38479101	PubMed citation	Europe PMC
38484849	PubMed citation	Europe PMC
38760804	PubMed citation	Europe PMC
38776883	PubMed citation	Europe PMC
8709678	PubMed citation	Europe PMC

Last Modified

22 October 2024

CHEBI:16436 - CDP-choline

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