RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0009096
RefMet name	dGDP
Systematic name	[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	427.029421 (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	C10H15N5O10P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37523 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2 ,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKey	CIKGWCTVFSRMJU-KVQBGUIXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine dNDP
Distribution of dGDP 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 dGDP
External Links
Pubchem CID	135398595
ChEBI ID	28862
KEGG ID	C00361
HMDB ID	HMDB0000960
Chemspider ID	388359
MetaCyc ID	DGDP
Spectral data for dGDP standards
MassBank(EU)	View MS 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 dGDP

Rxn ID	KEGG Reaction	Enzyme
R01857	ATP + dGDP <=> ADP + dGTP	ATP:dGDP phosphotransferase
R01858	dGTP + Pyruvate <=> dGDP + Phosphoenolpyruvate	dGTP:pyruvate 2-O-phosphotransferase
R02019	dGDP + Thioredoxin disulfide + H2O <=> GDP + Thioredoxin	2'-Deoxyguanosine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase
R02090	ATP + dGMP <=> ADP + dGDP	ATP:dGMP phosphotransferase

Table of KEGG human pathways containing dGDP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	4