CDM

4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL

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is present as a standalone ligand in 6 entries

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Chemical Component Summary
Name	4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
Identifiers	[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2R,3S)-2,3,4-trihydroxy-3-methyl-butoxy]phosphoryl] hydrogen phosphate
Formula	C₁₄ H₂₅ N₃ O₁₄ P₂
Molecular Weight	521.308
Type	NON-POLYMER
Isomeric SMILES	C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O
InChI	InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1
InChIKey	YFAUKWZNPVBCFF-XHIBXCGHSA-N

Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	8
Bond Count	59
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB03687
Name	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol
Groups	experimental
Synonyms	4-Diphosphocytidyl-2-C-methyl-D-erythritol 4-CDP-2-C-methyl-D-erythritol 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol
CAS number	263016-94-0

Drug Targets

Name	Target Sequence	Pharmacological Action
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase	MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLG...	unknown
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGD...	unknown
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase	MATTHLDVCAVVPAAGFGRRMQTECPKQYLSIGNQTILEHSVHALLAHPR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682