RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136084
RefMet name	GTP
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](hydroxy)phosphoryl}oxy)phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	522.990669 (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	C10H16N5O14P3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37700 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,1 6-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey	XKMLYUALXHKNFT-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)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 rNTP
Distribution of GTP 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 GTP
External Links
Pubchem CID	135398633
ChEBI ID	15996
KEGG ID	C00044
HMDB ID	HMDB0001273
Chemspider ID	6569
MetaCyc ID	GTP
EPA CompTox	DTXCID60202780
Spectral data for GTP standards
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 GTP

Rxn ID	KEGG Reaction	Enzyme
R00330	ATP + GDP <=> ADP + GTP	ATP:GDP phosphotransferase
R00335	GTP + H2O <=> GDP + Orthophosphate	GTP phosphohydrolase
R00424	GTP + H2O <=> 7,8-Dihydroneopterin 3'-triphosphate + Formate	GTP 7,8-8,9-dihydrolase
R00426	GTP + H2O <=> GMP + Diphosphate	GTP diphosphohydrolase (diphosphate-forming)
R00428	GTP + H2O <=> Formamidopyrimidine nucleoside triphosphate	GTP 8,9-hydrolase
R00430	GTP + Pyruvate <=> GDP + Phosphoenolpyruvate	GTP:pyruvate 2-O-phosphotransferase
R00434	GTP <=> 3',5'-Cyclic GMP + Diphosphate	GTP diphosphate-lyase (cyclizing
R01232	P1,P4-Bis(5'-guanosyl) tetraphosphate + H2O <=> GTP + GMP	P1,P4-bis(5'-guanosyl)-tetraphosphate guanylylhydrolase
R09394	GTP + S-Adenosyl-L-methionine + Reduced acceptor <=> (8S)-3',8-Cyclo-7,8-dihydroguanosine 5'-triphosphate + 5'-Deoxyadenosine + L-Methionine + Acceptor	GTP 3',8-cyclase [(8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate-forming]

Table of KEGG human pathways containing GTP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	6
hsa00790	Folate biosynthesis	2
hsa01240	Biosynthesis of cofactors	1