RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033893
RefMet name	CDP-ribitol
Systematic name	cytidine 5'-{3-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}
Synonyms	PubChem Synonyms
Exact mass	537.076098 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C14H25N3O15P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50347 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8 ,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1
InChIKey	DPJKHFICSGCNIR-HRENORGGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O2)O)O)c(=O)nc1N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Distribution of CDP-ribitol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting CDP-ribitol
External Links
Pubchem CID	165130
ChEBI ID	16022
KEGG ID	C00789
NPAtlas DB	NP006986
Spectral data for CDP-ribitol standards
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CDP-ribitol

Rxn ID	KEGG Reaction	Enzyme
R02921	CTP + D-Ribitol 5-phosphate <=> Diphosphate + CDP-ribitol	CTP:D-ribitol-5-phosphate cytidylyltransferase
R12294	Phospho-core M3 + CDP-ribitol <=> G13093 + CMP	Phospho-core M3 + CDP-ribitol <=> G13093 + CMP

Table of KEGG human pathways containing CDP-ribitol

Pathway ID	Human Pathway	# of reactions
hsa00515	Mannose type O-glycan biosynthesis	2
hsa00040	Pentose and glucuronate interconversions	1