CDP-choline

Chemical Formula:

C₁₄H₂₅N₄O₁₁P₂

Molecular Weight:

487.319 Daltons

Monoisotopic Mass:

489.11515575059997 Daltons

SMILES:

C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=CC(=NC2=O)N))

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)/p-1/t9-,11-,12-,13-/m1/s1

InChIKey:

RZZPDXZPRHQOCG-OJAKKHQRSA-M

Synonyms

citicoline
citicholine
cidifos
cyticholine
cytidine 5'-diphosphocholine
cytidine diphosphate choline

Databases

MetaCyc: CDP-CHOLINE

RefMet: Cytidine 5'-diphosphocholine

HMDB: HMDB01413

ChEBI: 58779 16436

PubChem (CID): 25202509 13804

KEGG: C00307

CAS: 987-78-0

Reactome: 1524060

Seed: cpd00256

MetaNetX: MNXM283

PupChem (SID): 3601

CHEMBL: CHEMBL1231700 CHEMBL1618340

KNApSAcK: C00007231

PDB-CCD: CDC

3DMET: B01213

NIKKAJI: J55.713G