RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136844
RefMet name	CDP-glycerol
Systematic name	cytidine 5'-[3-(2,3-dihydroxypropyl) dihydrogen diphosphate]
Synonyms	PubChem Synonyms
Exact mass	477.054961 (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	C12H21N3O13P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	51080 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H ,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1
InChIKey	HHPOUCCVONEPRK-JANFQQFMSA-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)OCC(CO)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-glycerol 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-glycerol
External Links
Pubchem CID	439249
ChEBI ID	17885
KEGG ID	C00513
HMDB ID	HMDB0059599
MetaCyc ID	CPD-606
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-glycerol

Rxn ID	KEGG Reaction	Enzyme
R00855	CDP-glycerol + H2O <=> CMP + sn-Glycerol 3-phosphate	CDPglycerol phosphoglycerohydrolase

Table of KEGG human pathways containing CDP-glycerol

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	1