RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033168
RefMet name	GDP
Systematic name	[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	443.024336 (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	C10H15N5O11P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37659 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H ,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey	QGWNDRXFNXRZMB-UUOKFMHZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2nc(N)[nH]c3=O)O1)O)O)OP(=O)(O)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNDP
Distribution of GDP 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 GDP
External Links
Pubchem CID	135398619
ChEBI ID	17552
KEGG ID	C00035
HMDB ID	HMDB0001201
Chemspider ID	8630
MetaCyc ID	GDP
EPA CompTox	DTXCID10204370
Spectral data for GDP standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 GDP

Rxn ID	KEGG Reaction	Enzyme
R00328	GDP + H2O <=> GMP + Orthophosphate	GDP phosphohydrolase
R00330	ATP + GDP <=> ADP + GTP	ATP:GDP phosphotransferase
R00332	ATP + GMP <=> ADP + GDP	ATP:GMP phosphotransferase
R00335	GTP + H2O <=> GDP + Orthophosphate	GTP phosphohydrolase
R00336	Guanosine 3',5'-bis(diphosphate) + H2O <=> GDP + Diphosphate	guanosine-3',5'-bis(diphosphate) 3'-diphosphohydrolase
R00430	GTP + Pyruvate <=> GDP + Phosphoenolpyruvate	GTP:pyruvate 2-O-phosphotransferase
R02019	dGDP + Thioredoxin disulfide + H2O <=> GDP + Thioredoxin	2'-Deoxyguanosine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase

Table of KEGG human pathways containing GDP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	7